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

Systemtic Name: 5-methyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CC[NH+](CC3)CC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CC[NH+](CC3)CC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C19H20N4O2S/c1-13-15-17(20-12-21-18(15)26-16(13)19(24)25)23-9-7-22(8-10-23)11-14-5-3-2-4-6-14/h2-6,12H,7-11H2,1H3,(H,24,25)