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

Systemtic Name: 3-ethyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidine-2,4-dione Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)-3-ethyl-1H-pyrimidine-2,4-dione CAS Name: 3-ethyl-6-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)-3-ethyl-1H-pyrimidine-2,4-dione Traditional Name: 6-(4-benzylpiperazin-4-ium-1-yl)-3-ethyl-uracil Formula: C17H23N4O2+ MolecularWeight: 315.39012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C=C(NC1=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=O)C=C(NC1=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H22N4O2/c1-2-21-16(22)12-15(18-17(21)23)20-10-8-19(9-11-20)13-14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3,(H,18,23)/p+1