4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-pyrimidine-5-carboxylate

Systemtic Name: 4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-pyrimidine-5-carboxylate Openeye Name: 4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-2-(4-methyl-1-piperazin-4-iumyl)-6-phenyl-5-pyrimidinecarboxylate IUPAC Name: 4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-6-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-pyrimidine-5-carboxylate Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)[O-])C2=CC=CC=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)[O-])C2=CC=CC=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H20N4O2/c1-12-14(16(22)23)15(13-6-4-3-5-7-13)19-17(18-12)21-10-8-20(2)9-11-21/h3-7H,8-11H2,1-2H3,(H,22,23)