Free Chemical Databases
-
[Synonyms]
NSC210356
[Structure]
[ Properties Computed from Structure]
Molecular Weight 395.84222 [g/mol] Molecular Formula C20H18ClN5O2 XLogP 4.2 H-Bond Donor 2 H-Bond Acceptor 7 Rotatable Bond Count 7 Tautomer Count 8 Exact Mass 395.114903 MonoIsotopic Mass 395.114903 Topological Polar Surface Area 98.9 Heavy Atom Count 28 Formal Charge 0 Complexity 482 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 8-[3-chloro-4-[3-(phenoxy)propoxy]phenyl]-7H-purin-6-amine
Canonical SMILES: C1=CC=C(C=C1)OCCCOC2=C(C=C(C=C2)C3=NC4=C(N3)C(=NC=N4)N)Cl
InChI: InChI=1/C20H18ClN5O2/c21-15-11-13(19-25-17-18(22)23-12-24-20(17)26-19)7-
8-16(15)28-10-4-9-27-14-5-2-1-3-6-14/h1-3,5-8,11-12H,4,9-10H2,(H3,22,23,
24,25,26)/f/h25H,22H2
Other Chemicals
- NSC55123,NSC 55123,2,5-Pyrrolidinedione, 1-(2-chlorophenyl)-,7402-22-4,
- NSC8132,1-(3-Bromopropoxy)-3-methylbenzene,ZINC01586424,Benzene, 1-(3-bromopropoxy)-3-methyl-,T5587865,6291-74
- 1-[4-(2-Phenylethyl)phenyl]ethanone,EINECS 212-323-6,ZINC01845686,Ethanone, 1-[4-(2-phenylethyl)phenyl]-,1-(4-
- IUPAC Name: dioctyltin; 2-(2-ethylhexoxy)-2-oxoethanethiolate,Canonical SMILES: CCCCCCCC[Sn]CCCCCCCC.CCCCC(CC)
- LS-62743,1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-piperonyl-, hydrochloride,7-Methyl-5-piperonyl-1,3-dioxolo
- LS-140831,3-(2-(1-((Dimethylamino)methyl)-1H-benzimidazol-2-yl)phenyl)-2-methyl-4(3H)-quinazolinone,4(3H)-Quin
- NSC202178,NSC206128,NSC206140,ZINC01736275,NSC 202178,NSC 206128,NSC 206140,Propanenitrile, 3,3'-(nitroimi
- (Methoxymethylene)malononitrile,EINECS 211-597-4,InChI=1/C5H4N2O/c1-8-4-5(2-6)3-7/h4H,1H,672-81-1,
- Benzilamide,2,2-Diphenylglycolamide,2-Hydroxy-2,2-diphenylacetamide,EINECS 225-262-5,NSC 46049,NSC46049,BRN 22
- IUPAC Name: potassium 2-anilinoacetate,Canonical SMILES: C1=CC=C(C=C1)NCC(=O)[O-].[K+],InChI: InChI=1/C8H9NO2.
- Ronnoxon,Ronoxon ,Ronnel oxon,Fenchlorphos-oxon,Ronnel oxygen analog ,Dowco 101,EINECS 223-624-7,Dimethyl 2,4,
- 1,5-Bis(phenylthio)-9,10-anthracenedione,9,10-Anthracenedione, 1,5-bis(phenylthio)-,AO-638/40907009,55879-96-4
- Bis-1,4-(chloromethoxy)butane,1,4-bis(chloromethoxy)butane,1,4-bis[(chloromethyl)oxy]butane,Butane, 1,4-bis(ch
- Diethyl 2-oxoglutarate,Diethyl oxalpropionate,Ethyl ethoxalylpropionate,EINECS 227-750-3,NSC111179,Glutaric ac
- Neodymium citrate,EINECS 221-096-2,LS-96071,3002-54-8,
- 2-Butanamine, N,N-dimethyl-,N,N-Dimethyl-2-butanamine,Propylamine, N,N,1-trimethyl-,921-04-0,
- AN-10,LS-34043,1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-, ethyl ester,2,3,4,5-Tetr
- Maybridge4_002721,STOCK2S-26592,EINECS 219-658-7,ZINC00171724,IDI1_032599,BAS 00090385,2,5-Bis(4-chlorophenyl)
- IUPAC Name: N-(1-pyridin-2-ylethylidene)hydroxylamine,Canonical SMILES: CC(=NO)C1=CC=CC=N1,InChI: InChI=1/C7H8
- EINECS 260-110-1,1,1,4,4-Tetramethylbutane-1,4-diyl diacetate,56323-20-7,
- 1,7-DICHLORODIBENZOFURAN,Dibenzofuran, 1,7-dichloro,94538-02-0,
- Sodium metasilicate anhydride,Silicic acid, (H2-Si2-O5), sodium salt,Silicic acid, (H2-Si2-O5), x sodium salt,
- p-Ethylphenyl isocyanate,4-Ethylphenyl isocyanate,478555_ALDRICH,EINECS 245-446-9,ZINC02560448,23138-50-3,
- EINECS 243-484-0,1-Ethyl-2-methylquinolinium p-toluenesulfonate,1-Ethyl-2-methylquinolinium toluene-p-sulphona
- EINECS 260-509-0,2-(3,4-Dimethoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide,57009-86-6,
- IUPAC Name: 3-[[(5-nitropyridin-2-yl)hydrazinylidene]methyl]phenol,Canonical SMILES: C1=CC(=CC(=C1)O)C=NNC2=NC
- (3-Chloropropyl)trimethoxysilane,Sila-Ace S 620,CPS-M,Silane, (3-chloropropyl)trimethoxy-,3-Chloropropyltrimet
- Ketogestin,Ketoprogesterone,11-Oxoprogesterone ,11-Ketoprogesterone ,11-keto-progesterone ,11-keto-P ,Bio-66 ,
- Metyridine,Emthyridine,Methydrine,Methyridine ,Prominthic,Farmintic,Metiridin,Minthic,Mintic,Dekelmin ,
- IUPAC Name: 3,7-dimethyloct-2-enal,Canonical SMILES: CC(C)CCCC(=CC=O)C,InChI: InChI=1/C10H18O/c1-9(2)5-4-6-10(