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

Systemtic Name: 2-[[3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[3-[(4-methoxyphenyl)methyl]-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetonitrile CAS Name: 2-[[3-[(4-methoxyphenyl)methyl]-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]thio]acetonitrile IUPAC Name: 2-[[3-[(4-methoxyphenyl)methyl]-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetonitrile Traditional Name: 2-[(4-keto-3-p-anisyl-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)thio]acetonitrile Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C(=CN3)C4=CC=CC=C4)N=C2SCC#N

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C(=CN3)C4=CC=CC=C4)N=C2SCC#N

InChI

InChI=1S/C22H18N4O2S/c1-28-17-9-7-15(8-10-17)14-26-21(27)20-19(25-22(26)29-12-11-23)18(13-24-20)16-5-3-2-4-6-16/h2-10,13,24H,12,14H2,1H3