3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-N-(3-nitrophenyl)propanamide

Systemtic Name: 3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-N-(3-nitrophenyl)propanamide Openeye Name: 3-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)-N-(3-nitrophenyl)propanamide CAS Name: 3-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-N-(3-nitrophenyl)propanamide IUPAC Name: 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(3-nitrophenyl)propanamide Traditional Name: 3-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)-N-(3-nitrophenyl)propionamide Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H16N4O4S/c1-10-11(2)26-16-15(10)17(23)20(9-18-16)7-6-14(22)19-12-4-3-5-13(8-12)21(24)25/h3-5,8-9H,6-7H2,1-2H3,(H,19,22)