ethyl 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-(pentan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-(pentan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(1-ethylpropylamino)-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(4-morpholin-4-iumylmethyl)-4-(pentan-3-ylamino)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-(pentan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(1-ethylpropylamino)-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C2C(=C(SC2=NC(=N1)C[NH+]3CCOCC3)C(=O)OCC)C

Isomeric SMILES

CCC(CC)NC1=C2C(=C(SC2=NC(=N1)C[NH+]3CCOCC3)C(=O)OCC)C

InChI

InChI=1S/C20H30N4O3S/c1-5-14(6-2)21-18-16-13(4)17(20(25)27-7-3)28-19(16)23-15(22-18)12-24-8-10-26-11-9-24/h14H,5-12H2,1-4H3,(H,21,22,23)/p+1