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

Systemtic Name: 2-azanyl-6-[9-(1-methyl-6-oxidanylidene-pyridin-3-yl)purin-8-yl]benzenecarbonitrile hydrochloride Openeye Name: 2-amino-6-[9-(1-methyl-6-oxo-3-pyridyl)purin-8-yl]benzonitrile hydrochloride CAS Name: 2-amino-6-[9-(1-methyl-6-oxo-3-pyridinyl)-8-purinyl]benzonitrile hydrochloride IUPAC Name: 2-amino-6-[9-(1-methyl-6-oxopyridin-3-yl)purin-8-yl]benzonitrile hydrochloride Traditional Name: 2-amino-6-[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)N2C(=NC3=CN=CN=C32)C4=C(C(=CC=C4)N)C#N.Cl

Isomeric SMILES

CN1C=C(C=CC1=O)N2C(=NC3=CN=CN=C32)C4=C(C(=CC=C4)N)C#N.Cl

InChI

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