N-(2-methyl-3-nitro-phenyl)-2-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-2-(3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-[(3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: 2-[(4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C)SC2=NC3=C(C=CS3)C(=O)N2C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C)SC2=NC3=C(C=CS3)C(=O)N2C

InChI

InChI=1S/C17H16N4O4S2/c1-9-12(5-4-6-13(9)21(24)25)18-14(22)10(2)27-17-19-15-11(7-8-26-15)16(23)20(17)3/h4-8,10H,1-3H3,(H,18,22)