3-[[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]sulfanyl]propanenitrile Openeye Name: 3-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]propanenitrile CAS Name: 3-[[6-amino-8-oxo-9-(phenylmethyl)-7H-purin-2-yl]thio]propanenitrile IUPAC Name: 3-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]propanenitrile Traditional Name: 3-[(6-amino-9-benzyl-8-keto-7H-purin-2-yl)thio]propionitrile Formula: C15H14N6OS MolecularWeight: 326.37626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N6OS/c16-7-4-8-23-14-19-12(17)11-13(20-14)21(15(22)18-11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,8-9H2,(H,18,22)(H2,17,19,20)