5-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 5-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(4-methyl-1-piperazin-4-iumyl)-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CC[NH+](CC3)C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CC[NH+](CC3)C)C(=O)[O-]

InChI

InChI=1S/C13H16N4O2S/c1-8-9-11(17-5-3-16(2)4-6-17)14-7-15-12(9)20-10(8)13(18)19/h7H,3-6H2,1-2H3,(H,18,19)