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

Systemtic Name: (5S)-1-butyl-5-[1-(3-imidazol-1-ylpropylamino)ethenyl]-1,3-diazinane-2,4,6-trione Openeye Name: (5S)-1-butyl-5-[1-(3-imidazol-1-ylpropylamino)vinyl]hexahydropyrimidine-2,4,6-trione CAS Name: (5S)-1-butyl-5-[1-[3-(1-imidazolyl)propylamino]ethenyl]-1,3-diazinane-2,4,6-trione IUPAC Name: (5S)-1-butyl-5-[1-(3-imidazol-1-ylpropylamino)ethenyl]-1,3-diazinane-2,4,6-trione Traditional Name: (5S)-1-butyl-5-[1-(3-imidazol-1-ylpropylamino)vinyl]barbituric acid Formula: C16H23N5O3 MolecularWeight: 333.38552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(C(=O)NC1=O)C(=C)NCCCN2C=CN=C2

Isomeric SMILES

CCCCN1C(=O)[C@H](C(=O)NC1=O)C(=C)NCCCN2C=CN=C2

InChI

InChI=1S/C16H23N5O3/c1-3-4-9-21-15(23)13(14(22)19-16(21)24)12(2)18-6-5-8-20-10-7-17-11-20/h7,10-11,13,18H,2-6,8-9H2,1H3,(H,19,22,24)/t13-/m0/s1