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

Systemtic Name: ethyl 4-[(1-cyclopropylpiperidin-1-ium-4-yl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[(1-cyclopropylpiperidin-1-ium-4-yl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[(1-cyclopropyl-4-piperidin-1-iumyl)amino]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1-cyclopropylpiperidin-1-ium-4-yl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(1-cyclopropylpiperidin-1-ium-4-yl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H27N4O2S+ MolecularWeight: 375.50828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NC3CC[NH+](CC3)C4CC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NC3CC[NH+](CC3)C4CC4)C

InChI

InChI=1S/C19H26N4O2S/c1-4-25-19(24)16-11(2)15-17(20-12(3)21-18(15)26-16)22-13-7-9-23(10-8-13)14-5-6-14/h13-14H,4-10H2,1-3H3,(H,20,21,22)/p+1