3-[6-azanyl-9-(1-methyl-6-oxidanylidene-pyridin-3-yl)purin-8-yl]benzenecarbonitrile hydrochloride

Systemtic Name: 3-[6-azanyl-9-(1-methyl-6-oxidanylidene-pyridin-3-yl)purin-8-yl]benzenecarbonitrile hydrochloride Openeye Name: 3-[6-amino-9-(1-methyl-6-oxo-3-pyridyl)purin-8-yl]benzonitrile hydrochloride CAS Name: 3-[6-amino-9-(1-methyl-6-oxo-3-pyridinyl)-8-purinyl]benzonitrile hydrochloride IUPAC Name: 3-[6-amino-9-(1-methyl-6-oxopyridin-3-yl)purin-8-yl]benzonitrile hydrochloride Traditional Name: 3-[6-amino-9-(6-keto-1-methyl-3-pyridyl)purin-8-yl]benzonitrile hydrochloride Formula: C18H14ClN7O MolecularWeight: 379.80306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=CC1=O)N2C3=C(C(=NC=N3)N)N=C2C4=CC=CC(=C4)C#N.Cl

Isomeric SMILES

CN1C=C(C=CC1=O)N2C3=C(C(=NC=N3)N)N=C2C4=CC=CC(=C4)C#N.Cl

InChI

InChI=1S/C18H13N7O.ClH/c1-24-9-13(5-6-14(24)26)25-17(12-4-2-3-11(7-12)8-19)23-15-16(20)21-10-22-18(15)25;/h2-7,9-10H,1H3,(H2,20,21,22);1H