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

Systemtic Name: 2-methylpropyl 5-methyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl 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(=O)OCC(C)C

Isomeric SMILES

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

InChI

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