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

Systemtic Name: 3-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]-N-(3-nitrophenyl)propanamide Openeye Name: N-(3-nitrophenyl)-3-[4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propanamide CAS Name: 3-[5-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]-N-(3-nitrophenyl)propanamide IUPAC Name: 3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3-nitrophenyl)propanamide Traditional Name: 3-[4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]-N-(3-nitrophenyl)propionamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O4S/c1-14-5-7-15(8-6-14)18-12-31-21-20(18)22(28)25(13-23-21)10-9-19(27)24-16-3-2-4-17(11-16)26(29)30/h2-8,11-13H,9-10H2,1H3,(H,24,27)