methyl 2,5-dimethyl-4-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 2,5-dimethyl-4-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 4-[(1-isopropylpiperidin-1-ium-4-yl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-[(1-propan-2-yl-4-piperidin-1-iumyl)amino]-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2,5-dimethyl-4-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(1-isopropylpiperidin-1-ium-4-yl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C18H27N4O2S+ MolecularWeight: 363.49758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3CC[NH+](CC3)C(C)C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3CC[NH+](CC3)C(C)C)C)C(=O)OC

InChI

InChI=1S/C18H26N4O2S/c1-10(2)22-8-6-13(7-9-22)21-16-14-11(3)15(18(23)24-5)25-17(14)20-12(4)19-16/h10,13H,6-9H2,1-5H3,(H,19,20,21)/p+1