2-[[3-(4-methylphenyl)-4-oxidanylidene-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[3-(4-methylphenyl)-4-oxidanylidene-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-oxo-7-phenyl-3-(p-tolyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetonitrile CAS Name: 2-[[3-(4-methylphenyl)-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]thio]acetonitrile IUPAC Name: 2-[[3-(4-methylphenyl)-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-keto-7-phenyl-3-(p-tolyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]thio]acetonitrile Formula: C21H16N4OS MolecularWeight: 372.44294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C(=CN3)C4=CC=CC=C4)N=C2SCC#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C(=CN3)C4=CC=CC=C4)N=C2SCC#N

InChI

InChI=1S/C21H16N4OS/c1-14-7-9-16(10-8-14)25-20(26)19-18(24-21(25)27-12-11-22)17(13-23-19)15-5-3-2-4-6-15/h2-10,13,23H,12H2,1H3