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

Systemtic Name: 5-[[2,5-dimethyl-1-(4-prop-2-enoxyphenyl)pyrrol-3-yl]methylidene]-1-methyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[1-(4-allyloxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-methyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[2,5-dimethyl-1-(4-prop-2-enoxyphenyl)-3-pyrrolyl]methylidene]-1-methyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[2,5-dimethyl-1-(4-prop-2-enoxyphenyl)pyrrol-3-yl]methylidene]-1-methyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[1-(4-allyloxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-methyl-barbituric acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-5-10-28-17-8-6-16(7-9-17)24-13(2)11-15(14(24)3)12-18-19(25)22-21(27)23(4)20(18)26/h5-9,11-12H,1,10H2,2-4H3,(H,22,25,27)