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

Systemtic Name: 3-(4-chlorophenyl)-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidine-2,4-dione Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)-3-(4-chlorophenyl)-1H-pyrimidine-2,4-dione CAS Name: 3-(4-chlorophenyl)-6-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)-3-(4-chlorophenyl)-1H-pyrimidine-2,4-dione Traditional Name: 6-(4-benzylpiperazin-4-ium-1-yl)-3-(4-chlorophenyl)uracil Formula: C21H22ClN4O2+ MolecularWeight: 397.87798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC(=O)N(C(=O)N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC(=O)N(C(=O)N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN4O2/c22-17-6-8-18(9-7-17)26-20(27)14-19(23-21(26)28)25-12-10-24(11-13-25)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H,23,28)/p+1