1-[4-(5-nitropyridin-2-yl)-3-octyl-piperazin-1-yl]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-[4-(5-nitropyridin-2-yl)-3-octyl-piperazin-1-yl]-1,3-diazinane-2,4,6-trione Openeye Name: 1-[4-(5-nitro-2-pyridyl)-3-octyl-piperazin-1-yl]hexahydropyrimidine-2,4,6-trione CAS Name: 1-[4-(5-nitro-2-pyridinyl)-3-octyl-1-piperazinyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-[4-(5-nitropyridin-2-yl)-3-octylpiperazin-1-yl]-1,3-diazinane-2,4,6-trione Traditional Name: 1-[4-(5-nitro-2-pyridyl)-3-octyl-piperazino]barbituric acid Formula: C21H30N6O5 MolecularWeight: 446.5001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CN(CCN1C2=NC=C(C=C2)[N+](=O)[O-])N3C(=O)CC(=O)NC3=O

Isomeric SMILES

CCCCCCCCC1CN(CCN1C2=NC=C(C=C2)[N+](=O)[O-])N3C(=O)CC(=O)NC3=O

InChI

InChI=1S/C21H30N6O5/c1-2-3-4-5-6-7-8-17-15-24(26-20(29)13-19(28)23-21(26)30)11-12-25(17)18-10-9-16(14-22-18)27(31)32/h9-10,14,17H,2-8,11-13,15H2,1H3,(H,23,28,30)