5-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methylidene]-1-hexyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methylidene]-1-hexyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]methylene]-1-hexyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]methylidene]-1-hexyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methylidene]-1-hexyl-1,3-diazinane-2,4,6-trione Traditional Name: 1-hexyl-5-[[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]methylene]barbituric acid Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CNC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)NC1=O

Isomeric SMILES

CCCCCCN1C(=O)C(=CNC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)NC1=O

InChI

InChI=1S/C22H27N5O4/c1-4-5-6-10-13-26-20(29)17(19(28)24-22(26)31)14-23-18-15(2)25(3)27(21(18)30)16-11-8-7-9-12-16/h7-9,11-12,14,23H,4-6,10,13H2,1-3H3,(H,24,28,31)