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

Systemtic Name: 4-[[5-(4-fluorophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]-N-phenyl-benzamide Openeye Name: 4-[[5-(4-fluorophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]-N-phenyl-benzamide CAS Name: 4-[[5-(4-fluorophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]-N-phenylbenzamide IUPAC Name: 4-[[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]-N-phenylbenzamide Traditional Name: 4-[[5-(4-fluorophenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]methyl]-N-phenyl-benzamide Formula: C26H18FN3O2S MolecularWeight: 455.503423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H18FN3O2S/c27-20-12-10-18(11-13-20)22-15-33-25-23(22)26(32)30(16-28-25)14-17-6-8-19(9-7-17)24(31)29-21-4-2-1-3-5-21/h1-13,15-16H,14H2,(H,29,31)