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

Systemtic Name: ethyl 4-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[4-(2-amino-2-oxo-ethyl)piperazin-4-ium-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[4-(2-amino-2-oxoethyl)-1-piperazin-4-iumyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-amino-2-oxoethyl)piperazin-4-ium-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[4-(2-amino-2-keto-ethyl)piperazin-4-ium-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H22N5O3S+ MolecularWeight: 364.44258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CC[NH+](CC3)CC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CC[NH+](CC3)CC(=O)N)C

InChI

InChI=1S/C16H21N5O3S/c1-3-24-16(23)13-10(2)12-14(18-9-19-15(12)25-13)21-6-4-20(5-7-21)8-11(17)22/h9H,3-8H2,1-2H3,(H2,17,22)/p+1