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

Systemtic Name: 5-[(2,5-dimethyl-1-pyridin-4-yl-pyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[2,5-dimethyl-1-(4-pyridyl)pyrrol-3-yl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(2,5-dimethyl-1-pyridin-4-yl-3-pyrrolyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[2,5-dimethyl-1-(4-pyridyl)pyrrol-3-yl]methylene]barbituric acid Formula: C16H14N4O3 MolecularWeight: 310.30736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=NC=C2)C)C=C3C(=O)NC(=O)NC3=O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=NC=C2)C)C=C3C(=O)NC(=O)NC3=O

InChI

InChI=1S/C16H14N4O3/c1-9-7-11(8-13-14(21)18-16(23)19-15(13)22)10(2)20(9)12-3-5-17-6-4-12/h3-8H,1-2H3,(H2,18,19,21,22,23)