2-[2-methyl-9-(4-methylphenyl)-1H-purin-6-ylidene]propanedinitrile

Systemtic Name: 2-[2-methyl-9-(4-methylphenyl)-1H-purin-6-ylidene]propanedinitrile Openeye Name: 2-[2-methyl-9-(p-tolyl)-1H-purin-6-ylidene]propanedinitrile CAS Name: 2-[2-methyl-9-(4-methylphenyl)-1H-purin-6-ylidene]propanedinitrile IUPAC Name: 2-[2-methyl-9-(4-methylphenyl)-1H-purin-6-ylidene]propanedinitrile Traditional Name: 2-[2-methyl-9-(p-tolyl)-1H-purin-6-ylidene]malononitrile Formula: C16H12N6 MolecularWeight: 288.30668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NC3=C2N=C(NC3=C(C#N)C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NC3=C2N=C(NC3=C(C#N)C#N)C

InChI

InChI=1S/C16H12N6/c1-10-3-5-13(6-4-10)22-9-19-15-14(12(7-17)8-18)20-11(2)21-16(15)22/h3-6,9H,1-2H3,(H,20,21)