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

Systemtic Name: ethyl 4-(ethylamino)-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(ethylamino)-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(ethylamino)-5-methyl-2-(4-morpholin-4-iumylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(ethylamino)-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(ethylamino)-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H25N4O3S+ MolecularWeight: 365.4704

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C2C(=C(SC2=NC(=N1)C[NH+]3CCOCC3)C(=O)OCC)C

Isomeric SMILES

CCNC1=C2C(=C(SC2=NC(=N1)C[NH+]3CCOCC3)C(=O)OCC)C

InChI

InChI=1S/C17H24N4O3S/c1-4-18-15-13-11(3)14(17(22)24-5-2)25-16(13)20-12(19-15)10-21-6-8-23-9-7-21/h4-10H2,1-3H3,(H,18,19,20)/p+1