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

Systemtic Name: 1-(furan-2-ylmethyl)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(2-furylmethyl)-5-[(1-prop-2-ynylindol-3-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(2-furanylmethyl)-5-[(1-prop-2-ynyl-3-indolyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(furan-2-ylmethyl)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(2-furfuryl)-5-[(1-propargylindol-3-yl)methylene]barbituric acid Formula: C21H15N3O4 MolecularWeight: 373.3615

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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)CC4=CC=CO4

Isomeric SMILES

C#CCN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CO4

InChI

InChI=1S/C21H15N3O4/c1-2-9-23-12-14(16-7-3-4-8-18(16)23)11-17-19(25)22-21(27)24(20(17)26)13-15-6-5-10-28-15/h1,3-8,10-12H,9,13H2,(H,22,25,27)