2-[2-[[(3-methylphenyl)amino]methyl]-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[[(3-methylphenyl)amino]methyl]-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[2-[(3-methylanilino)methyl]-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[2-[(3-methylanilino)methyl]-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[2-[(3-methylanilino)methyl]-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-(m-toluidinomethyl)-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]acetonitrile Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC#N

Isomeric SMILES

CC1=CC(=CC=C1)NCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC#N

InChI

InChI=1S/C22H18N4OS/c1-15-6-5-9-17(12-15)24-13-19-25-21-20(22(27)26(19)11-10-23)18(14-28-21)16-7-3-2-4-8-16/h2-9,12,14,24H,11,13H2,1H3