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

Systemtic Name: 5-[[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-cyclohexyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[1-(4-tert-butylphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[1-(4-tert-butylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-cyclohexyl-barbituric acid Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)(C)C)C)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)(C)C)C)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4

InChI

InChI=1S/C27H33N3O3/c1-17-15-19(18(2)29(17)22-13-11-20(12-14-22)27(3,4)5)16-23-24(31)28-26(33)30(25(23)32)21-9-7-6-8-10-21/h11-16,21H,6-10H2,1-5H3,(H,28,31,33)