3-[[5-methyl-4-oxidanylidene-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid

Systemtic Name: 3-[[5-methyl-4-oxidanylidene-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Openeye Name: 3-[[5-methyl-4-oxo-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid CAS Name: 3-[[6-[anilino(oxo)methyl]-5-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid IUPAC Name: 3-[[5-methyl-4-oxo-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Traditional Name: 3-[[4-keto-5-methyl-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC(=C3)C(=O)O)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC(=C3)C(=O)O)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H17N3O4S/c1-13-17-20(30-18(13)19(26)24-16-8-3-2-4-9-16)23-12-25(21(17)27)11-14-6-5-7-15(10-14)22(28)29/h2-10,12H,11H2,1H3,(H,24,26)(H,28,29)