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

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

CCCCC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4)C

InChI

InChI=1S/C27H33N3O3/c1-4-5-9-20-12-14-23(15-13-20)29-18(2)16-21(19(29)3)17-24-25(31)28-27(33)30(26(24)32)22-10-7-6-8-11-22/h12-17,22H,4-11H2,1-3H3,(H,28,31,33)