1-(3,4-dimethylphenyl)-5-[(hexylamino)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(3,4-dimethylphenyl)-5-[(hexylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(3,4-dimethylphenyl)-5-[(hexylamino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3,4-dimethylphenyl)-5-[(hexylamino)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(3,4-dimethylphenyl)-5-[(hexylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(3,4-dimethylphenyl)-5-[(hexylamino)methylene]barbituric acid Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC=C1C(=O)NC(=O)N(C1=O)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCCCCNC=C1C(=O)NC(=O)N(C1=O)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C19H25N3O3/c1-4-5-6-7-10-20-12-16-17(23)21-19(25)22(18(16)24)15-9-8-13(2)14(3)11-15/h8-9,11-12,20H,4-7,10H2,1-3H3,(H,21,23,25)