5-methyl-4-[[4-(2-methylpropoxy)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-4-[[4-(2-methylpropoxy)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(4-isobutoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-[4-(2-methylpropoxy)anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 5-methyl-4-[4-(2-methylpropoxy)anilino]thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(4-isobutoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)OCC(C)C)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)OCC(C)C)C(=O)O

InChI

InChI=1S/C18H19N3O3S/c1-10(2)8-24-13-6-4-12(5-7-13)21-16-14-11(3)15(18(22)23)25-17(14)20-9-19-16/h4-7,9-10H,8H2,1-3H3,(H,22,23)(H,19,20,21)