ethyl 2-[(1S)-1-(4-ethoxycarbonylpiperazin-1-ium-1-yl)ethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[(1S)-1-(4-ethoxycarbonylpiperazin-1-ium-1-yl)ethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(1S)-1-(4-ethoxycarbonylpiperazin-1-ium-1-yl)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(1S)-1-(4-ethoxycarbonyl-1-piperazin-1-iumyl)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1S)-1-(4-ethoxycarbonylpiperazin-1-ium-1-yl)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(1S)-1-(4-carbethoxypiperazin-1-ium-1-yl)ethyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H27N4O5S+ MolecularWeight: 423.50648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)[NH+]3CCN(CC3)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)[NH+]3CCN(CC3)C(=O)OCC)C

InChI

InChI=1S/C19H26N4O5S/c1-5-27-18(25)14-11(3)13-16(24)20-15(21-17(13)29-14)12(4)22-7-9-23(10-8-22)19(26)28-6-2/h12H,5-10H2,1-4H3,(H,20,21,24)/p+1/t12-/m0/s1