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

Systemtic Name: 4-[[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]-N-phenyl-benzamide Openeye Name: 4-[[4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]methyl]-N-phenyl-benzamide CAS Name: 4-[[5-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]-N-phenylbenzamide IUPAC Name: 4-[[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]-N-phenylbenzamide Traditional Name: 4-[[4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]methyl]-N-phenyl-benzamide Formula: C27H21N3O2S MolecularWeight: 451.53954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H21N3O2S/c1-18-7-11-20(12-8-18)23-16-33-26-24(23)27(32)30(17-28-26)15-19-9-13-21(14-10-19)25(31)29-22-5-3-2-4-6-22/h2-14,16-17H,15H2,1H3,(H,29,31)