5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-ethyl]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[2-(1-azepanyl)-2-oxoethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[2-(azepan-1-yl)-2-keto-ethyl]-1,3-dimethyl-barbituric acid Formula: C14H21N3O4 MolecularWeight: 295.33424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=O)N(C1=O)C)CC(=O)N2CCCCCC2

Isomeric SMILES

CN1C(=O)C(C(=O)N(C1=O)C)CC(=O)N2CCCCCC2

InChI

InChI=1S/C14H21N3O4/c1-15-12(19)10(13(20)16(2)14(15)21)9-11(18)17-7-5-3-4-6-8-17/h10H,3-9H2,1-2H3