2-[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]ethanenitrile

Systemtic Name: 2-[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]ethanenitrile Openeye Name: 2-(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)acetonitrile CAS Name: 2-[6-amino-8-oxo-9-(phenylmethyl)-7H-purin-2-yl]acetonitrile IUPAC Name: 2-(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)acetonitrile Traditional Name: 2-(6-amino-9-benzyl-8-keto-7H-purin-2-yl)acetonitrile Formula: C14H12N6O MolecularWeight: 280.28468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)CC#N)N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)CC#N)N)NC2=O

InChI

InChI=1S/C14H12N6O/c15-7-6-10-17-12(16)11-13(18-10)20(14(21)19-11)8-9-4-2-1-3-5-9/h1-5H,6,8H2,(H,19,21)(H2,16,17,18)