Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 358.35192 [g/mol] Molecular Formula C16H18N6O4 XLogP 1.8 H-Bond Donor 2 H-Bond Acceptor 8 Rotatable Bond Count 4 Tautomer Count 12 Exact Mass 358.138953 MonoIsotopic Mass 358.138953 Topological Polar Surface Area 112 Heavy Atom Count 26 Formal Charge 0 Complexity 587 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 8-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3,
7-trimethylpurine-2,6-dione
Canonical SMILES: CN1C2=C(N=C1NN=CC3=CC(=C(C=C3)O)OC)N(C(=O)N(C2=O)C)C
InChI: InChI=1/C16H18N6O4/c1-20-12-13(21(2)16(25)22(3)14(12)24)18-15(20)19-17-
8-9-5-6-10(23)11(7-9)26-4/h5-8,23H,1-4H3,(H,18,19)/f/h19H
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