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

Systemtic Name: 5-[1-(hexylamino)ethylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-benzyl-5-[1-(hexylamino)ethylidene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(hexylamino)ethylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1-benzyl-5-[1-(hexylamino)ethylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-benzyl-5-[1-(hexylamino)ethylidene]barbituric acid Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)C

Isomeric SMILES

CCCCCCNC(=C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C19H25N3O3/c1-3-4-5-9-12-20-14(2)16-17(23)21-19(25)22(18(16)24)13-15-10-7-6-8-11-15/h6-8,10-11,20H,3-5,9,12-13H2,1-2H3,(H,21,23,25)