1-hexyl-5-[(2-phenylpyrimidin-5-yl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-hexyl-5-[(2-phenylpyrimidin-5-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-hexyl-5-[(2-phenylpyrimidin-5-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-hexyl-5-[(2-phenyl-5-pyrimidinyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-hexyl-5-[(2-phenylpyrimidin-5-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-hexyl-5-[(2-phenylpyrimidin-5-yl)methylene]barbituric acid Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CC2=CN=C(N=C2)C3=CC=CC=C3)C(=O)NC1=O

Isomeric SMILES

CCCCCCN1C(=O)C(=CC2=CN=C(N=C2)C3=CC=CC=C3)C(=O)NC1=O

InChI

InChI=1S/C21H22N4O3/c1-2-3-4-8-11-25-20(27)17(19(26)24-21(25)28)12-15-13-22-18(23-14-15)16-9-6-5-7-10-16/h5-7,9-10,12-14H,2-4,8,11H2,1H3,(H,24,26,28)