N-butyl-N-methyl-2-[5-(3-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanamide

Systemtic Name: N-butyl-N-methyl-2-[5-(3-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanamide Openeye Name: N-butyl-N-methyl-2-[5-(3-nitrophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetamide CAS Name: N-butyl-N-methyl-2-[5-(3-nitrophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetamide IUPAC Name: N-butyl-N-methyl-2-[5-(3-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide Traditional Name: N-butyl-2-[4-keto-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-3-yl]-N-methyl-acetamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)CN1C=NC2=C(C1=O)C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C)C(=O)CN1C=NC2=C(C1=O)C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c1-3-4-8-21(2)16(24)10-22-12-20-18-17(19(22)25)15(11-28-18)13-6-5-7-14(9-13)23(26)27/h5-7,9,11-12H,3-4,8,10H2,1-2H3