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

Systemtic Name: 2-[[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]sulfanyl]ethanenitrile Openeye Name: 2-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]acetonitrile CAS Name: 2-[[6-amino-8-oxo-9-(phenylmethyl)-7H-purin-2-yl]thio]acetonitrile IUPAC Name: 2-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]acetonitrile Traditional Name: 2-[(6-amino-9-benzyl-8-keto-7H-purin-2-yl)thio]acetonitrile Formula: C14H12N6OS MolecularWeight: 312.34968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N6OS/c15-6-7-22-13-18-11(16)10-12(19-13)20(14(21)17-10)8-9-4-2-1-3-5-9/h1-5H,7-8H2,(H,17,21)(H2,16,18,19)