3-[6-azanylidene-1-(phenylmethyl)purin-9-yl]propanenitrile

Systemtic Name: 3-[6-azanylidene-1-(phenylmethyl)purin-9-yl]propanenitrile Openeye Name: 3-(1-benzyl-6-imino-purin-9-yl)propanenitrile CAS Name: 3-[6-imino-1-(phenylmethyl)-9-purinyl]propanenitrile IUPAC Name: 3-(1-benzyl-6-iminopurin-9-yl)propanenitrile Traditional Name: 3-(1-benzyl-6-imino-purin-9-yl)propionitrile Formula: C15H14N6 MolecularWeight: 278.31186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(C2=N)N=CN3CCC#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(C2=N)N=CN3CCC#N

InChI

InChI=1S/C15H14N6/c16-7-4-8-20-10-18-13-14(17)21(11-19-15(13)20)9-12-5-2-1-3-6-12/h1-3,5-6,10-11,17H,4,8-9H2