5-[1-(3-oxidanylpropylamino)propylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[1-(3-oxidanylpropylamino)propylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-benzyl-5-[1-(3-hydroxypropylamino)propylidene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(3-hydroxypropylamino)propylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1-benzyl-5-[1-(3-hydroxypropylamino)propylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-benzyl-5-[1-(3-hydroxypropylamino)propylidene]barbituric acid Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)NCCCO

Isomeric SMILES

CCC(=C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)NCCCO

InChI

InChI=1S/C17H21N3O4/c1-2-13(18-9-6-10-21)14-15(22)19-17(24)20(16(14)23)11-12-7-4-3-5-8-12/h3-5,7-8,18,21H,2,6,9-11H2,1H3,(H,19,22,24)