4-[[1-methyl-2-oxidanylidene-6-(pyridin-4-ylmethylcarbamoyl)-4H-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[1-methyl-2-oxidanylidene-6-(pyridin-4-ylmethylcarbamoyl)-4H-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[1-methyl-2-oxo-6-(4-pyridylmethylcarbamoyl)-4H-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[1-methyl-2-oxo-6-[oxo-(pyridin-4-ylmethylamino)methyl]-4H-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[1-methyl-2-oxo-6-(pyridin-4-ylmethylcarbamoyl)-4H-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[2-keto-1-methyl-6-(4-pyridylmethylcarbamoyl)-4H-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CN(C1=O)CC3=CC=C(C=C3)C(=O)O)SC(=C2)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

CN1C2=C(CN(C1=O)CC3=CC=C(C=C3)C(=O)O)SC(=C2)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C22H20N4O4S/c1-25-17-10-18(20(27)24-11-14-6-8-23-9-7-14)31-19(17)13-26(22(25)30)12-15-2-4-16(5-3-15)21(28)29/h2-10H,11-13H2,1H3,(H,24,27)(H,28,29)