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

Systemtic Name: propan-2-yl 5-methyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C15H21N4O2S+ MolecularWeight: 321.41784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O2S/c1-9(2)21-15(20)12-10(3)11-13(17-8-18-14(11)22-12)19-6-4-16-5-7-19/h8-9,16H,4-7H2,1-3H3/p+1