4-[[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]sulfanyl]butanenitrile Openeye Name: 4-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]butanenitrile CAS Name: 4-[[6-amino-8-oxo-9-(phenylmethyl)-7H-purin-2-yl]thio]butanenitrile IUPAC Name: 4-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]butanenitrile Traditional Name: 4-[(6-amino-9-benzyl-8-keto-7H-purin-2-yl)thio]butyronitrile Formula: C16H16N6OS MolecularWeight: 340.40284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6OS/c17-8-4-5-9-24-15-20-13(18)12-14(21-15)22(16(23)19-12)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,9-10H2,(H,19,23)(H2,18,20,21)