2-[(4-oxidanylidene-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]ethanenitrile

Systemtic Name: 2-[(4-oxidanylidene-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(4-oxo-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetonitrile CAS Name: 2-[(4-oxo-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-2-yl)thio]acetonitrile IUPAC Name: 2-[(4-oxo-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetonitrile Traditional Name: 2-[(4-keto-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-2-yl)thio]acetonitrile Formula: C14H10N4OS MolecularWeight: 282.3204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CNC3=C2NC(=NC3=O)SCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CNC3=C2NC(=NC3=O)SCC#N

InChI

InChI=1S/C14H10N4OS/c15-6-7-20-14-17-11-10(9-4-2-1-3-5-9)8-16-12(11)13(19)18-14/h1-5,8,16H,7H2,(H,17,18,19)