5-[1-(1,3-benzodioxol-5-ylamino)propylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[1-(1,3-benzodioxol-5-ylamino)propylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione Openeye Name: 1-allyl-5-[1-(1,3-benzodioxol-5-ylamino)propylidene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(1,3-benzodioxol-5-ylamino)propylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(1,3-benzodioxol-5-ylamino)propylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione Traditional Name: 1-allyl-5-[1-(1,3-benzodioxol-5-ylamino)propylidene]barbituric acid Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)NC(=O)N(C1=O)CC=C)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC(=C1C(=O)NC(=O)N(C1=O)CC=C)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H17N3O5/c1-3-7-20-16(22)14(15(21)19-17(20)23)11(4-2)18-10-5-6-12-13(8-10)25-9-24-12/h3,5-6,8,18H,1,4,7,9H2,2H3,(H,19,21,23)