3-[phenyl(7H-purin-6-yl)amino]propanenitrile

Systemtic Name: 3-[phenyl(7H-purin-6-yl)amino]propanenitrile Openeye Name: 3-[N-(7H-purin-6-yl)anilino]propanenitrile CAS Name: 3-[N-(7H-purin-6-yl)anilino]propanenitrile IUPAC Name: 3-[N-(7H-purin-6-yl)anilino]propanenitrile Traditional Name: 3-[N-(7H-purin-6-yl)anilino]propionitrile Formula: C14H12N6 MolecularWeight: 264.28528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C2=NC=NC3=C2NC=N3

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C2=NC=NC3=C2NC=N3

InChI

InChI=1S/C14H12N6/c15-7-4-8-20(11-5-2-1-3-6-11)14-12-13(17-9-16-12)18-10-19-14/h1-3,5-6,9-10H,4,8H2,(H,16,17,18,19)