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

Systemtic Name: propan-2-yl 5-methyl-4-(piperidin-1-ium-4-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O2S/c1-9(2)22-16(21)13-10(3)12-14(18-8-19-15(12)23-13)20-11-4-6-17-7-5-11/h8-9,11,17H,4-7H2,1-3H3,(H,18,19,20)/p+1