3-[2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-8-oxidanylidene-purin-9-yl]benzenecarbonitrile

Systemtic Name: 3-[2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-8-oxidanylidene-purin-9-yl]benzenecarbonitrile Openeye Name: 3-[2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-8-oxo-purin-9-yl]benzonitrile CAS Name: 3-[2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-8-oxo-9-purinyl]benzonitrile IUPAC Name: 3-[2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-8-oxopurin-9-yl]benzonitrile Traditional Name: 3-[2-(cyclopropylamino)-8-keto-7-o-anisyl-purin-9-yl]benzonitrile Formula: C23H20N6O2 MolecularWeight: 412.4439

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2C3=CN=C(N=C3N(C2=O)C4=CC=CC(=C4)C#N)NC5CC5

Isomeric SMILES

COC1=CC=CC=C1CN2C3=CN=C(N=C3N(C2=O)C4=CC=CC(=C4)C#N)NC5CC5

InChI

InChI=1S/C23H20N6O2/c1-31-20-8-3-2-6-16(20)14-28-19-13-25-22(26-17-9-10-17)27-21(19)29(23(28)30)18-7-4-5-15(11-18)12-24/h2-8,11,13,17H,9-10,14H2,1H3,(H,25,26,27)