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

Systemtic Name: 1-cyclohexyl-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-cyclohexyl-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-cyclohexyl-5-[[1-(4-iodophenyl)-2-pyrrolyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-cyclohexyl-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-cyclohexyl-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylene]barbituric acid Formula: C21H20IN3O3 MolecularWeight: 489.30627

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)I)C(=O)NC2=O

Isomeric SMILES

C1CCC(CC1)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)I)C(=O)NC2=O

InChI

InChI=1S/C21H20IN3O3/c22-14-8-10-15(11-9-14)24-12-4-7-17(24)13-18-19(26)23-21(28)25(20(18)27)16-5-2-1-3-6-16/h4,7-13,16H,1-3,5-6H2,(H,23,26,28)