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

Systemtic Name: N-(2-methylpropyl)-2-[5-(4-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanamide Openeye Name: N-isobutyl-2-[5-(4-nitrophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetamide CAS Name: N-(2-methylpropyl)-2-[5-(4-nitrophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetamide IUPAC Name: N-(2-methylpropyl)-2-[5-(4-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide Traditional Name: N-isobutyl-2-[4-keto-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-3-yl]acetamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4S/c1-11(2)7-19-15(23)8-21-10-20-17-16(18(21)24)14(9-27-17)12-3-5-13(6-4-12)22(25)26/h3-6,9-11H,7-8H2,1-2H3,(H,19,23)