3-(2-methylphenyl)-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidine-2,4-dione

Systemtic Name: 3-(2-methylphenyl)-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidine-2,4-dione Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)-3-(o-tolyl)-1H-pyrimidine-2,4-dione CAS Name: 3-(2-methylphenyl)-6-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione Traditional Name: 6-(4-benzylpiperazin-4-ium-1-yl)-3-(o-tolyl)uracil Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C=C(NC2=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C=C(NC2=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2/c1-17-7-5-6-10-19(17)26-21(27)15-20(23-22(26)28)25-13-11-24(12-14-25)16-18-8-3-2-4-9-18/h2-10,15H,11-14,16H2,1H3,(H,23,28)/p+1