5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylene]-1-(2-furylmethyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)methylidene]-1-(2-furanylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylene]-1-(2-furfuryl)barbituric acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCCC2)C)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CO4

Isomeric SMILES

CC1=CC(=C(N1C2CCCCC2)C)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CO4

InChI

InChI=1S/C22H25N3O4/c1-14-11-16(15(2)25(14)17-7-4-3-5-8-17)12-19-20(26)23-22(28)24(21(19)27)13-18-9-6-10-29-18/h6,9-12,17H,3-5,7-8,13H2,1-2H3,(H,23,26,28)