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

Systemtic Name: 2,5-dimethyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-benzyl-2,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2,5-dimethyl-4-oxo-3-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 3-benzyl-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-benzyl-4-keto-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O3S/c1-9-12-14(22-13(9)16(20)21)17-10(2)18(15(12)19)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,20,21)