3-[[3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoylamino]methyl]-N-phenyl-benzamide

Systemtic Name: 3-[[3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoylamino]methyl]-N-phenyl-benzamide Openeye Name: 3-[[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]methyl]-N-phenyl-benzamide CAS Name: 3-[[[1-oxo-3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propyl]amino]methyl]-N-phenylbenzamide IUPAC Name: 3-[[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]methyl]-N-phenylbenzamide Traditional Name: 3-[[3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propanoylamino]methyl]-N-phenyl-benzamide Formula: C23H20N4O3S MolecularWeight: 432.4949

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)CNC(=O)CCN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)CNC(=O)CCN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C23H20N4O3S/c28-20(9-11-27-15-25-22-19(23(27)30)10-12-31-22)24-14-16-5-4-6-17(13-16)21(29)26-18-7-2-1-3-8-18/h1-8,10,12-13,15H,9,11,14H2,(H,24,28)(H,26,29)