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

Systemtic Name: 2,5-dimethyl-4-[(2-propoxyphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2,5-dimethyl-4-(2-propoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2,5-dimethyl-4-(2-propoxyanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 2,5-dimethyl-4-(2-propoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2,5-dimethyl-4-(2-propoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1NC2=C3C(=C(SC3=NC(=N2)C)C(=O)O)C

Isomeric SMILES

CCCOC1=CC=CC=C1NC2=C3C(=C(SC3=NC(=N2)C)C(=O)O)C

InChI

InChI=1S/C18H19N3O3S/c1-4-9-24-13-8-6-5-7-12(13)21-16-14-10(2)15(18(22)23)25-17(14)20-11(3)19-16/h5-8H,4,9H2,1-3H3,(H,22,23)(H,19,20,21)