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

Systemtic Name: (5R)-5-[1-(azepan-1-ylamino)ethenyl]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: (5R)-5-[1-(azepan-1-ylamino)vinyl]-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione CAS Name: (5R)-5-[1-(1-azepanylamino)ethenyl]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: (5R)-5-[1-(azepan-1-ylamino)ethenyl]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: (5R)-5-[1-(azepan-1-ylamino)vinyl]-1-(o-tolyl)barbituric acid Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(C(=O)NC2=O)C(=C)NN3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)[C@@H](C(=O)NC2=O)C(=C)NN3CCCCCC3

InChI

InChI=1S/C19H24N4O3/c1-13-9-5-6-10-15(13)23-18(25)16(17(24)20-19(23)26)14(2)21-22-11-7-3-4-8-12-22/h5-6,9-10,16,21H,2-4,7-8,11-12H2,1H3,(H,20,24,26)/t16-/m1/s1