1-(2-nitrophenyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]urea

Systemtic Name: 1-(2-nitrophenyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]urea Openeye Name: 1-(2-nitrophenyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]urea CAS Name: 1-(2-nitrophenyl)-3-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]urea IUPAC Name: 1-(2-nitrophenyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]urea Traditional Name: 1-(2-nitrophenyl)-3-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]urea Formula: C18H24N7O3+ MolecularWeight: 386.42826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CCCNC(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C18H23N7O3/c26-18(22-15-5-1-2-6-16(15)25(27)28)21-9-4-10-23-11-13-24(14-12-23)17-19-7-3-8-20-17/h1-3,5-8H,4,9-14H2,(H2,21,22,26)/p+1