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

Systemtic Name: 3-(carboxymethyl)-5-methyl-4-oxidanylidene-2-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-benzyl-3-(carboxymethyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 3-(carboxymethyl)-5-methyl-4-oxo-2-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 2-benzyl-3-(carboxymethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-benzyl-3-(carboxymethyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O5S/c1-9-13-15(25-14(9)17(23)24)18-11(7-10-5-3-2-4-6-10)19(16(13)22)8-12(20)21/h2-6H,7-8H2,1H3,(H,20,21)(H,23,24)