3-(5-chloranyl-2-methyl-phenyl)-6-(4-ethylpiperazin-4-ium-1-yl)-1H-pyrimidine-2,4-dione

Systemtic Name: 3-(5-chloranyl-2-methyl-phenyl)-6-(4-ethylpiperazin-4-ium-1-yl)-1H-pyrimidine-2,4-dione Openeye Name: 3-(5-chloro-2-methyl-phenyl)-6-(4-ethylpiperazin-4-ium-1-yl)-1H-pyrimidine-2,4-dione CAS Name: 3-(5-chloro-2-methylphenyl)-6-(4-ethyl-1-piperazin-4-iumyl)-1H-pyrimidine-2,4-dione IUPAC Name: 3-(5-chloro-2-methylphenyl)-6-(4-ethylpiperazin-4-ium-1-yl)-1H-pyrimidine-2,4-dione Traditional Name: 3-(5-chloro-2-methyl-phenyl)-6-(4-ethylpiperazin-4-ium-1-yl)uracil Formula: C17H22ClN4O2+ MolecularWeight: 349.83518

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=O)N(C(=O)N2)C3=C(C=CC(=C3)Cl)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=O)N(C(=O)N2)C3=C(C=CC(=C3)Cl)C

InChI

InChI=1S/C17H21ClN4O2/c1-3-20-6-8-21(9-7-20)15-11-16(23)22(17(24)19-15)14-10-13(18)5-4-12(14)2/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,24)/p+1