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

Systemtic Name: methyl 2,5-dimethyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C14H19N4O2S+ MolecularWeight: 307.39126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O2S/c1-8-10-12(18-6-4-15-5-7-18)16-9(2)17-13(10)21-11(8)14(19)20-3/h15H,4-7H2,1-3H3/p+1