5-[(2-oxidanylideneazepan-1-yl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(2-oxidanylideneazepan-1-yl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(2-oxoazepan-1-yl)methyl]-5-propyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(2-oxo-1-azepanyl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(2-oxoazepan-1-yl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(2-ketoazepan-1-yl)methyl]-5-propyl-barbituric acid Formula: C14H21N3O4 MolecularWeight: 295.33424

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)NC(=O)NC1=O)CN2CCCCCC2=O

Isomeric SMILES

CCCC1(C(=O)NC(=O)NC1=O)CN2CCCCCC2=O

InChI

InChI=1S/C14H21N3O4/c1-2-7-14(11(19)15-13(21)16-12(14)20)9-17-8-5-3-4-6-10(17)18/h2-9H2,1H3,(H2,15,16,19,20,21)