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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)C(=C(C#N)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)C(=C(C#N)C#N)N

InChI

InChI=1S/C16H11N7/c17-6-12(7-18)13(19)14-15-16(21-9-20-14)23(10-22-15)8-11-4-2-1-3-5-11/h1-5,9-10H,8,19H2