2-[5-(4-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]-N-phenyl-propanamide

Systemtic Name: 2-[5-(4-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]-N-phenyl-propanamide Openeye Name: 2-[5-(4-nitrophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]-N-phenyl-propanamide CAS Name: 2-[5-(4-nitrophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]-N-phenylpropanamide IUPAC Name: 2-[5-(4-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenylpropanamide Traditional Name: 2-[4-keto-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-3-yl]-N-phenyl-propionamide Formula: C21H16N4O4S MolecularWeight: 420.44114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)N2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)N2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O4S/c1-13(19(26)23-15-5-3-2-4-6-15)24-12-22-20-18(21(24)27)17(11-30-20)14-7-9-16(10-8-14)25(28)29/h2-13H,1H3,(H,23,26)