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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O4/c1-5-7-13-26-20(29)17(19(28)24-22(26)31)16(6-2)23-18-14(3)25(4)27(21(18)30)15-11-9-8-10-12-15/h8-12,23H,5-7,13H2,1-4H3,(H,24,28,31)