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

Systemtic Name: 5-[1-(1,3-benzodioxol-5-ylamino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[1-(1,3-benzodioxol-5-ylamino)ethylidene]-1-butyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(1,3-benzodioxol-5-ylamino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(1,3-benzodioxol-5-ylamino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[1-(1,3-benzodioxol-5-ylamino)ethylidene]-1-butyl-barbituric acid Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=C(C)NC2=CC3=C(C=C2)OCO3)C(=O)NC1=O

Isomeric SMILES

CCCCN1C(=O)C(=C(C)NC2=CC3=C(C=C2)OCO3)C(=O)NC1=O

InChI

InChI=1S/C17H19N3O5/c1-3-4-7-20-16(22)14(15(21)19-17(20)23)10(2)18-11-5-6-12-13(8-11)25-9-24-12/h5-6,8,18H,3-4,7,9H2,1-2H3,(H,19,21,23)