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

Systemtic Name: propan-2-yl 2,5-dimethyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 2,5-dimethyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-(1-piperazin-4-iumyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2,5-dimethyl-4-piperazin-4-ium-1-ylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2,5-dimethyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CC[NH2+]CC3)C)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CC[NH2+]CC3)C)C(=O)OC(C)C

InChI

InChI=1S/C16H22N4O2S/c1-9(2)22-16(21)13-10(3)12-14(20-7-5-17-6-8-20)18-11(4)19-15(12)23-13/h9,17H,5-8H2,1-4H3/p+1