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

Systemtic Name: ethyl 5-methyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(1-piperazin-4-iumyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-piperazin-4-ium-1-ylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C14H19N4O2S+ MolecularWeight: 307.39126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CC[NH2+]CC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CC[NH2+]CC3)C

InChI

InChI=1S/C14H18N4O2S/c1-3-20-14(19)11-9(2)10-12(16-8-17-13(10)21-11)18-6-4-15-5-7-18/h8,15H,3-7H2,1-2H3/p+1