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

Systemtic Name: 4-[(4-ethylphenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(4-ethylanilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(4-ethylanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(4-ethylanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(4-ethylanilino)-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:

CCC1=CC=C(C=C1)NC2=C3C(=C(SC3=NC(=N2)C)C(=O)O)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C3C(=C(SC3=NC(=N2)C)C(=O)O)C

InChI

InChI=1S/C17H17N3O2S/c1-4-11-5-7-12(8-6-11)20-15-13-9(2)14(17(21)22)23-16(13)19-10(3)18-15/h5-8H,4H2,1-3H3,(H,21,22)(H,18,19,20)