2-[5-(3-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoic acid

Systemtic Name: 2-[5-(3-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoic acid Openeye Name: 2-[5-(3-nitrophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]butanoic acid CAS Name: 2-[5-(3-nitrophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]butanoic acid IUPAC Name: 2-[5-(3-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid Traditional Name: 2-[4-keto-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-3-yl]butyric acid Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1C=NC2=C(C1=O)C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)O)N1C=NC2=C(C1=O)C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5S/c1-2-12(16(21)22)18-8-17-14-13(15(18)20)11(7-25-14)9-4-3-5-10(6-9)19(23)24/h3-8,12H,2H2,1H3,(H,21,22)