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

Systemtic Name: ethyl 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-phenylazanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-anilino-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-anilino-5-methyl-2-(4-morpholin-4-iumylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-anilino-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-anilino-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+]3CCOCC3)NC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+]3CCOCC3)NC4=CC=CC=C4)C

InChI

InChI=1S/C21H24N4O3S/c1-3-28-21(26)18-14(2)17-19(22-15-7-5-4-6-8-15)23-16(24-20(17)29-18)13-25-9-11-27-12-10-25/h4-8H,3,9-13H2,1-2H3,(H,22,23,24)/p+1