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

Systemtic Name: 5-[(1-butan-2-ylindol-3-yl)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-(2-furylmethyl)-5-[(1-sec-butylindol-3-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(1-butan-2-yl-3-indolyl)methylidene]-1-(2-furanylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(1-butan-2-ylindol-3-yl)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 1-(2-furfuryl)-5-[(1-sec-butylindol-3-yl)methylene]barbituric acid Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CO4

Isomeric SMILES

CCC(C)N1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CO4

InChI

InChI=1S/C22H21N3O4/c1-3-14(2)24-12-15(17-8-4-5-9-19(17)24)11-18-20(26)23-22(28)25(21(18)27)13-16-7-6-10-29-16/h4-12,14H,3,13H2,1-2H3,(H,23,26,28)