4-[(4-methoxyphenyl)amino]-5-methyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)amino]-5-methyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(4-methoxyanilino)-5-methyl-2-(1-piperidylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(4-methoxyanilino)-5-methyl-2-(1-piperidinylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(4-methoxyanilino)-5-methyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 5-methyl-4-(p-anisidino)-2-(piperidinomethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3=CC=C(C=C3)OC)CN4CCCCC4)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3=CC=C(C=C3)OC)CN4CCCCC4)C(=O)O

InChI

InChI=1S/C21H24N4O3S/c1-13-17-19(22-14-6-8-15(28-2)9-7-14)23-16(12-25-10-4-3-5-11-25)24-20(17)29-18(13)21(26)27/h6-9H,3-5,10-12H2,1-2H3,(H,26,27)(H,22,23,24)