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

Systemtic Name: 2,5-dimethyl-3-[(4-methylphenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2,5-dimethyl-4-oxo-3-(p-tolylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2,5-dimethyl-3-[(4-methylphenyl)methyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 2,5-dimethyl-3-[(4-methylphenyl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-2,5-dimethyl-3-(4-methylbenzyl)thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C(=C(S3)C(=O)O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C(=C(S3)C(=O)O)C)C

InChI

InChI=1S/C17H16N2O3S/c1-9-4-6-12(7-5-9)8-19-11(3)18-15-13(16(19)20)10(2)14(23-15)17(21)22/h4-7H,8H2,1-3H3,(H,21,22)