3-[3-methyl-8-[(3-methylphenyl)amino]-2,6-bis(oxidanylidene)purin-7-yl]propanenitrile

Systemtic Name: 3-[3-methyl-8-[(3-methylphenyl)amino]-2,6-bis(oxidanylidene)purin-7-yl]propanenitrile Openeye Name: 3-[3-methyl-8-(3-methylanilino)-2,6-dioxo-purin-7-yl]propanenitrile CAS Name: 3-[3-methyl-8-(3-methylanilino)-2,6-dioxo-7-purinyl]propanenitrile IUPAC Name: 3-[3-methyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]propanenitrile Traditional Name: 3-[2,6-diketo-3-methyl-8-(m-toluidino)purin-7-yl]propionitrile Formula: C16H16N6O2 MolecularWeight: 324.33724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC3=C(N2CCC#N)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC3=C(N2CCC#N)C(=O)NC(=O)N3C

InChI

InChI=1S/C16H16N6O2/c1-10-5-3-6-11(9-10)18-15-19-13-12(22(15)8-4-7-17)14(23)20-16(24)21(13)2/h3,5-6,9H,4,8H2,1-2H3,(H,18,19)(H,20,23,24)