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

Systemtic Name: ethyl 4-(cyclopentylamino)-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(cyclopentylamino)-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(cyclopentylamino)-5-methyl-2-(4-morpholin-4-iumylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclopentylamino)-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(cyclopentylamino)-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+]3CCOCC3)NC4CCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+]3CCOCC3)NC4CCCC4)C

InChI

InChI=1S/C20H28N4O3S/c1-3-27-20(25)17-13(2)16-18(21-14-6-4-5-7-14)22-15(23-19(16)28-17)12-24-8-10-26-11-9-24/h14H,3-12H2,1-2H3,(H,21,22,23)/p+1