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

Systemtic Name: 5-[[1-(4-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[1-(4-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[1-(4-butylphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[1-(4-butylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[1-(4-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]barbituric acid Formula: C21H23N3O3 MolecularWeight: 365.42562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=O)NC3=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=O)NC3=O)C

InChI

InChI=1S/C21H23N3O3/c1-4-5-6-15-7-9-17(10-8-15)24-13(2)11-16(14(24)3)12-18-19(25)22-21(27)23-20(18)26/h7-12H,4-6H2,1-3H3,(H2,22,23,25,26,27)