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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4S/c1-2-3-7-19-15(23)9-21-11-20-17-16(18(21)24)14(10-27-17)12-5-4-6-13(8-12)22(25)26/h4-6,8,10-11H,2-3,7,9H2,1H3,(H,19,23)