5-[1-(azepan-1-ylamino)ethylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[1-(azepan-1-ylamino)ethylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[1-(azepan-1-ylamino)ethylidene]-1-benzyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(1-azepanylamino)ethylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(azepan-1-ylamino)ethylidene]-1-benzyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[1-(azepan-1-ylamino)ethylidene]-1-benzyl-barbituric acid Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)NN3CCCCCC3

Isomeric SMILES

CC(=C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)NN3CCCCCC3

InChI

InChI=1S/C19H24N4O3/c1-14(21-22-11-7-2-3-8-12-22)16-17(24)20-19(26)23(18(16)25)13-15-9-5-4-6-10-15/h4-6,9-10,21H,2-3,7-8,11-13H2,1H3,(H,20,24,26)