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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)N2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)N2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O4S/c1-13-5-3-4-6-18(13)24-20(27)14(2)25-12-23-21-19(22(25)28)17(11-31-21)15-7-9-16(10-8-15)26(29)30/h3-12,14H,1-2H3,(H,24,27)