ethyl 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-(3-oxidanylidenepiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-(3-oxidanylidenepiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-(3-oxopiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(4-morpholin-4-iumylmethyl)-4-(3-oxo-1-piperazinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-(3-oxopiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-ketopiperazino)-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H26N5O4S+ MolecularWeight: 420.50584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+]3CCOCC3)N4CCNC(=O)C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+]3CCOCC3)N4CCNC(=O)C4)C

InChI

InChI=1S/C19H25N5O4S/c1-3-28-19(26)16-12(2)15-17(24-5-4-20-14(25)11-24)21-13(22-18(15)29-16)10-23-6-8-27-9-7-23/h3-11H2,1-2H3,(H,20,25)/p+1