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

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide CAS Name: N-(2-methyl-3-nitrophenyl)-3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2C=NC3=C(C2=O)C=CS3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2C=NC3=C(C2=O)C=CS3

InChI

InChI=1S/C16H14N4O4S/c1-10-12(3-2-4-13(10)20(23)24)18-14(21)5-7-19-9-17-15-11(16(19)22)6-8-25-15/h2-4,6,8-9H,5,7H2,1H3,(H,18,21)