2-[[5-methyl-4-oxidanylidene-6-(phenylcarbamoyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-methyl-4-oxidanylidene-6-(phenylcarbamoyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-methyl-4-oxo-6-(phenylcarbamoyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[anilino(oxo)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]acetate IUPAC Name: 2-[[5-methyl-4-oxo-6-(phenylcarbamoyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[4-keto-5-methyl-6-(phenylcarbamoyl)-3H-thieno[2,3-d]pyrimidin-2-yl]thio]acetate Formula: C16H12N3O4S2- MolecularWeight: 374.41418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)[O-])C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)[O-])C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C16H13N3O4S2/c1-8-11-13(22)18-16(24-7-10(20)21)19-15(11)25-12(8)14(23)17-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,17,23)(H,20,21)(H,18,19,22)/p-1