Free Chemical Databases
-
[Synonyms]
Maybridge1_005851
UPCMLD00WJAB94A
Oprea1_724418
CBDivE_012232
MLS000518431
NSC24338
UPCMLD00WJAB94A:002
NSC2780
NSC5975
AIDS122833
[Structure]
[ Properties Computed from Structure]
Molecular Weight 260.28844 [g/mol] Molecular Formula C14H16N2O3 XLogP 1.3 H-Bond Donor 2 H-Bond Acceptor 3 Rotatable Bond Count 4 Tautomer Count 5 Exact Mass 260.116092 MonoIsotopic Mass 260.116092 Topological Polar Surface Area 67.4 Heavy Atom Count 19 Formal Charge 0 Complexity 398 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: ethyl 4-methyl-2-oxo-6-phenyl-3,6-dihydro-1H-pyrimidine-5-carboxylate
Canonical SMILES: CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)C
InChI: InChI=1/C14H16N2O3/c1-3-19-13(17)11-9(2)15-14(18)16-12(11)10-7-5-4-6-8-
10/h4-8,12H,3H2,1-2H3,(H2,15,16,18)/f/h15-16H
Other Chemicals
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