2-[[4-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)phenoxy]methyl]benzonitrile CAS Name: 2-[[4-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)phenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)phenoxy]methyl]benzonitrile Traditional Name: 2-[[4-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)phenoxy]methyl]benzonitrile Formula: C22H17N3O2S MolecularWeight: 387.45428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4C#N)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4C#N)C

InChI

InChI=1S/C22H17N3O2S/c1-13-14(2)28-22-19(13)21(26)24-20(25-22)15-7-9-18(10-8-15)27-12-17-6-4-3-5-16(17)11-23/h3-10H,12H2,1-2H3,(H,24,25,26)