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

Systemtic Name: 5-methyl-4-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-4-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(4-methyl-1-piperazin-4-iumyl)-2-phenyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-4-(4-methylpiperazin-4-ium-1-yl)-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-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)C)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O2S/c1-12-14-17(23-10-8-22(2)9-11-23)20-16(13-6-4-3-5-7-13)21-18(14)26-15(12)19(24)25/h3-7H,8-11H2,1-2H3,(H,24,25)