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

Systemtic Name: 3-[3-methyl-8-[[(3-methylphenyl)amino]methyl]-2,6-bis(oxidanylidene)purin-7-yl]propanenitrile Openeye Name: 3-[3-methyl-8-[(3-methylanilino)methyl]-2,6-dioxo-purin-7-yl]propanenitrile CAS Name: 3-[3-methyl-8-[(3-methylanilino)methyl]-2,6-dioxo-7-purinyl]propanenitrile IUPAC Name: 3-[3-methyl-8-[(3-methylanilino)methyl]-2,6-dioxopurin-7-yl]propanenitrile Traditional Name: 3-[2,6-diketo-3-methyl-8-(m-toluidinomethyl)purin-7-yl]propionitrile Formula: C17H18N6O2 MolecularWeight: 338.36382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NCC2=NC3=C(N2CCC#N)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC(=CC=C1)NCC2=NC3=C(N2CCC#N)C(=O)NC(=O)N3C

InChI

InChI=1S/C17H18N6O2/c1-11-5-3-6-12(9-11)19-10-13-20-15-14(23(13)8-4-7-18)16(24)21-17(25)22(15)2/h3,5-6,9,19H,4,8,10H2,1-2H3,(H,21,24,25)