3-(4-ethoxyphenyl)-6-(4-ethylpiperazin-4-ium-1-yl)-1H-pyrimidine-2,4-dione

Systemtic Name: 3-(4-ethoxyphenyl)-6-(4-ethylpiperazin-4-ium-1-yl)-1H-pyrimidine-2,4-dione Openeye Name: 3-(4-ethoxyphenyl)-6-(4-ethylpiperazin-4-ium-1-yl)-1H-pyrimidine-2,4-dione CAS Name: 3-(4-ethoxyphenyl)-6-(4-ethyl-1-piperazin-4-iumyl)-1H-pyrimidine-2,4-dione IUPAC Name: 3-(4-ethoxyphenyl)-6-(4-ethylpiperazin-4-ium-1-yl)-1H-pyrimidine-2,4-dione Traditional Name: 6-(4-ethylpiperazin-4-ium-1-yl)-3-p-phenetyl-uracil Formula: C18H25N4O3+ MolecularWeight: 345.4161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O3/c1-3-20-9-11-21(12-10-20)16-13-17(23)22(18(24)19-16)14-5-7-15(8-6-14)25-4-2/h5-8,13H,3-4,9-12H2,1-2H3,(H,19,24)/p+1