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

Systemtic Name: 5-[(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]methylene]-1-(2-furylmethyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[2,5-dimethyl-1-(3-pyridinyl)-3-pyrrolyl]methylidene]-1-(2-furanylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]methylene]-1-(2-furfuryl)barbituric acid Formula: C21H18N4O4 MolecularWeight: 390.39202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CN=CC=C2)C)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CO4

Isomeric SMILES

CC1=CC(=C(N1C2=CN=CC=C2)C)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CO4

InChI

InChI=1S/C21H18N4O4/c1-13-9-15(14(2)25(13)16-5-3-7-22-11-16)10-18-19(26)23-21(28)24(20(18)27)12-17-6-4-8-29-17/h3-11H,12H2,1-2H3,(H,23,26,28)