2-[azanyl-[9-(4-methylphenyl)purin-6-yl]methylidene]propanedinitrile

Systemtic Name: 2-[azanyl-[9-(4-methylphenyl)purin-6-yl]methylidene]propanedinitrile Openeye Name: 2-[amino-[9-(p-tolyl)purin-6-yl]methylene]propanedinitrile CAS Name: 2-[amino-[9-(4-methylphenyl)-6-purinyl]methylidene]propanedinitrile IUPAC Name: 2-[amino-[9-(4-methylphenyl)purin-6-yl]methylidene]propanedinitrile Traditional Name: 2-[amino-[9-(p-tolyl)purin-6-yl]methylene]malononitrile Formula: C16H11N7 MolecularWeight: 301.30544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NC3=C(N=CN=C32)C(=C(C#N)C#N)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NC3=C(N=CN=C32)C(=C(C#N)C#N)N

InChI

InChI=1S/C16H11N7/c1-10-2-4-12(5-3-10)23-9-22-15-14(20-8-21-16(15)23)13(19)11(6-17)7-18/h2-5,8-9H,19H2,1H3