1-(1,3-benzodioxol-5-yl)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(1,3-benzodioxol-5-yl)-5-[(1-prop-2-ynylindol-3-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(1,3-benzodioxol-5-yl)-5-[(1-prop-2-ynyl-3-indolyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(1,3-benzodioxol-5-yl)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(1,3-benzodioxol-5-yl)-5-[(1-propargylindol-3-yl)methylene]barbituric acid Formula: C23H15N3O5 MolecularWeight: 413.3823

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C#CCN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H15N3O5/c1-2-9-25-12-14(16-5-3-4-6-18(16)25)10-17-21(27)24-23(29)26(22(17)28)15-7-8-19-20(11-15)31-13-30-19/h1,3-8,10-12H,9,13H2,(H,24,27,29)