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

Systemtic Name: (5S)-5-[1-(azepan-1-ylamino)ethenyl]-1-butyl-1,3-diazinane-2,4,6-trione Openeye Name: (5S)-5-[1-(azepan-1-ylamino)vinyl]-1-butyl-hexahydropyrimidine-2,4,6-trione CAS Name: (5S)-5-[1-(1-azepanylamino)ethenyl]-1-butyl-1,3-diazinane-2,4,6-trione IUPAC Name: (5S)-5-[1-(azepan-1-ylamino)ethenyl]-1-butyl-1,3-diazinane-2,4,6-trione Traditional Name: (5S)-5-[1-(azepan-1-ylamino)vinyl]-1-butyl-barbituric acid Formula: C16H26N4O3 MolecularWeight: 322.40264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(C(=O)NC1=O)C(=C)NN2CCCCCC2

Isomeric SMILES

CCCCN1C(=O)[C@H](C(=O)NC1=O)C(=C)NN2CCCCCC2

InChI

InChI=1S/C16H26N4O3/c1-3-4-11-20-15(22)13(14(21)17-16(20)23)12(2)18-19-9-7-5-6-8-10-19/h13,18H,2-11H2,1H3,(H,17,21,23)/t13-/m0/s1