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

Systemtic Name: 1-butyl-5-[1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]ethylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-butyl-5-[1-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]ethylidene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-butyl-5-[1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]ethylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-butyl-5-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]ethylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-butyl-5-[1-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethylidene]barbituric acid Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=C(C)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)NC1=O

Isomeric SMILES

CCCCN1C(=O)C(=C(C)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)NC1=O

InChI

InChI=1S/C21H25N5O4/c1-5-6-12-25-19(28)16(18(27)23-21(25)30)13(2)22-17-14(3)24(4)26(20(17)29)15-10-8-7-9-11-15/h7-11,22H,5-6,12H2,1-4H3,(H,23,27,30)