4-(6-azanyl-7H-purin-8-yl)benzenecarbonitrile

Systemtic Name: 4-(6-azanyl-7H-purin-8-yl)benzenecarbonitrile Openeye Name: 4-(6-amino-7H-purin-8-yl)benzonitrile CAS Name: 4-(6-amino-7H-purin-8-yl)benzonitrile IUPAC Name: 4-(6-amino-7H-purin-8-yl)benzonitrile Traditional Name: 4-(6-amino-7H-purin-8-yl)benzonitrile Formula: C12H8N6 MolecularWeight: 236.23212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=NC3=C(N2)C(=NC=N3)N

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=NC3=C(N2)C(=NC=N3)N

InChI

InChI=1S/C12H8N6/c13-5-7-1-3-8(4-2-7)11-17-9-10(14)15-6-16-12(9)18-11/h1-4,6H,(H3,14,15,16,17,18)