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

Systemtic Name: cyclohexyl 5-methyl-4-(piperidin-1-ium-4-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 5-methyl-4-(piperidin-1-ium-4-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(4-piperidin-1-iumylamino)-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-methyl-4-(piperidin-1-ium-4-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(piperidin-1-ium-4-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C19H27N4O2S+ MolecularWeight: 375.50828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3CC[NH2+]CC3)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3CC[NH2+]CC3)C(=O)OC4CCCCC4

InChI

InChI=1S/C19H26N4O2S/c1-12-15-17(23-13-7-9-20-10-8-13)21-11-22-18(15)26-16(12)19(24)25-14-5-3-2-4-6-14/h11,13-14,20H,2-10H2,1H3,(H,21,22,23)/p+1