5-[6-azanyl-8-(3-methylphenyl)purin-9-yl]-1-methyl-pyridin-2-one dihydrochloride

Systemtic Name: 5-[6-azanyl-8-(3-methylphenyl)purin-9-yl]-1-methyl-pyridin-2-one dihydrochloride Openeye Name: 5-[6-amino-8-(m-tolyl)purin-9-yl]-1-methyl-pyridin-2-one dihydrochloride CAS Name: 5-[6-amino-8-(3-methylphenyl)-9-purinyl]-1-methyl-2-pyridinone dihydrochloride IUPAC Name: 5-[6-amino-8-(3-methylphenyl)purin-9-yl]-1-methylpyridin-2-one dihydrochloride Traditional Name: 5-[6-amino-8-(m-tolyl)purin-9-yl]-1-methyl-2-pyridone dihydrochloride Formula: C18H18Cl2N6O MolecularWeight: 405.28112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(N2C4=CN(C(=O)C=C4)C)N=CN=C3N.Cl.Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(N2C4=CN(C(=O)C=C4)C)N=CN=C3N.Cl.Cl

InChI

InChI=1S/C18H16N6O.2ClH/c1-11-4-3-5-12(8-11)17-22-15-16(19)20-10-21-18(15)24(17)13-6-7-14(25)23(2)9-13;;/h3-10H,1-2H3,(H2,19,20,21);2*1H