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

Systemtic Name: 5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione Openeye Name: 1-allyl-5-[[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione Traditional Name: 1-allyl-5-[[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]methylene]barbituric acid Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=O)N(C3=O)CC=C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=O)N(C3=O)CC=C)C

InChI

InChI=1S/C21H21N3O3/c1-5-10-23-20(26)18(19(25)22-21(23)27)12-16-11-14(3)24(15(16)4)17-8-6-13(2)7-9-17/h5-9,11-12H,1,10H2,2-4H3,(H,22,25,27)