5-[1-(azepan-1-ylamino)propylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[1-(azepan-1-ylamino)propylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[1-(azepan-1-ylamino)propylidene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(1-azepanylamino)propylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(azepan-1-ylamino)propylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[1-(azepan-1-ylamino)propylidene]barbituric acid Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)NC(=O)NC1=O)NN2CCCCCC2

Isomeric SMILES

CCC(=C1C(=O)NC(=O)NC1=O)NN2CCCCCC2

InChI

InChI=1S/C13H20N4O3/c1-2-9(16-17-7-5-3-4-6-8-17)10-11(18)14-13(20)15-12(10)19/h16H,2-8H2,1H3,(H2,14,15,18,19,20)