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

Systemtic Name: 4-[(2-methoxyphenyl)amino]-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(2-methoxyanilino)-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2-methoxyanilino)-5-methyl-2-(1-piperidin-1-iumylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(2-methoxyanilino)-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(o-anisidino)-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3=CC=CC=C3OC)C[NH+]4CCCCC4)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3=CC=CC=C3OC)C[NH+]4CCCCC4)C(=O)[O-]

InChI

InChI=1S/C21H24N4O3S/c1-13-17-19(22-14-8-4-5-9-15(14)28-2)23-16(12-25-10-6-3-7-11-25)24-20(17)29-18(13)21(26)27/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,26,27)(H,22,23,24)