1-[4-(4-nitrophenyl)-2-(4-propoxybutyl)piperazin-1-yl]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-[4-(4-nitrophenyl)-2-(4-propoxybutyl)piperazin-1-yl]-1,3-diazinane-2,4,6-trione Openeye Name: 1-[4-(4-nitrophenyl)-2-(4-propoxybutyl)piperazin-1-yl]hexahydropyrimidine-2,4,6-trione CAS Name: 1-[4-(4-nitrophenyl)-2-(4-propoxybutyl)-1-piperazinyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-[4-(4-nitrophenyl)-2-(4-propoxybutyl)piperazin-1-yl]-1,3-diazinane-2,4,6-trione Traditional Name: 1-[4-(4-nitrophenyl)-2-(4-propoxybutyl)piperazino]barbituric acid Formula: C21H29N5O6 MolecularWeight: 447.48486

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCCCC1CN(CCN1N2C(=O)CC(=O)NC2=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCOCCCCC1CN(CCN1N2C(=O)CC(=O)NC2=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O6/c1-2-12-32-13-4-3-5-18-15-23(16-6-8-17(9-7-16)26(30)31)10-11-24(18)25-20(28)14-19(27)22-21(25)29/h6-9,18H,2-5,10-15H2,1H3,(H,22,27,29)