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

Systemtic Name: 4-[(2,3-dimethylphenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(2,3-dimethylanilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(2,3-dimethylanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(2,3-dimethylanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(2,3-dimethylanilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=C3C(=C(SC3=NC(=N2)C)C(=O)O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=C3C(=C(SC3=NC(=N2)C)C(=O)O)C)C

InChI

InChI=1S/C17H17N3O2S/c1-8-6-5-7-12(9(8)2)20-15-13-10(3)14(17(21)22)23-16(13)19-11(4)18-15/h5-7H,1-4H3,(H,21,22)(H,18,19,20)