3-(2-carboxyethyl)-5-methyl-4-oxidanylidene-2-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 3-(2-carboxyethyl)-5-methyl-4-oxidanylidene-2-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-benzyl-3-(2-carboxyethyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 3-(2-carboxyethyl)-5-methyl-4-oxo-2-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 2-benzyl-3-(2-carboxyethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-benzyl-3-(2-carboxyethyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5S/c1-10-14-16(26-15(10)18(24)25)19-12(9-11-5-3-2-4-6-11)20(17(14)23)8-7-13(21)22/h2-6H,7-9H2,1H3,(H,21,22)(H,24,25)