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

Systemtic Name: 4-[(4-butoxyphenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(4-butoxyanilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(4-butoxyanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(4-butoxyanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(4-butoxyanilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C3C(=C(SC3=NC(=N2)C)C(=O)O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C3C(=C(SC3=NC(=N2)C)C(=O)O)C

InChI

InChI=1S/C19H21N3O3S/c1-4-5-10-25-14-8-6-13(7-9-14)22-17-15-11(2)16(19(23)24)26-18(15)21-12(3)20-17/h6-9H,4-5,10H2,1-3H3,(H,23,24)(H,20,21,22)