2-methylpropyl 2,5-dimethyl-4-(piperidin-1-ium-4-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methylpropyl 2,5-dimethyl-4-(piperidin-1-ium-4-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 2,5-dimethyl-4-(piperidin-1-ium-4-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-(4-piperidin-1-iumylamino)-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2,5-dimethyl-4-(piperidin-1-ium-4-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2,5-dimethyl-4-(piperidin-1-ium-4-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C18H27N4O2S+ MolecularWeight: 363.49758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3CC[NH2+]CC3)C)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3CC[NH2+]CC3)C)C(=O)OCC(C)C

InChI

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