3-(5-chloranyl-2-methyl-phenyl)-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidine-2,4-dione

Systemtic Name: 3-(5-chloranyl-2-methyl-phenyl)-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidine-2,4-dione Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)-3-(5-chloro-2-methyl-phenyl)-1H-pyrimidine-2,4-dione CAS Name: 3-(5-chloro-2-methylphenyl)-6-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)-3-(5-chloro-2-methylphenyl)-1H-pyrimidine-2,4-dione Traditional Name: 6-(4-benzylpiperazin-4-ium-1-yl)-3-(5-chloro-2-methyl-phenyl)uracil Formula: C22H24ClN4O2+ MolecularWeight: 411.90456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C(=O)C=C(NC2=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(=O)C=C(NC2=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23ClN4O2/c1-16-7-8-18(23)13-19(16)27-21(28)14-20(24-22(27)29)26-11-9-25(10-12-26)15-17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3,(H,24,29)/p+1