(6Z)-6-[[(3-chloranyl-4-methyl-phenyl)methylamino]-oxidanyl-methylidene]-2-(1-oxidanylbutyl)-1H-pyrimidine-4,5-dione

Systemtic Name: (6Z)-6-[[(3-chloranyl-4-methyl-phenyl)methylamino]-oxidanyl-methylidene]-2-(1-oxidanylbutyl)-1H-pyrimidine-4,5-dione Openeye Name: (6Z)-6-[[(3-chloro-4-methyl-phenyl)methylamino]-hydroxy-methylene]-2-(1-hydroxybutyl)-1H-pyrimidine-4,5-dione CAS Name: (6Z)-6-[[(3-chloro-4-methylphenyl)methylamino]-hydroxymethylidene]-2-(1-hydroxybutyl)-1H-pyrimidine-4,5-dione IUPAC Name: (6Z)-6-[[(3-chloro-4-methylphenyl)methylamino]-hydroxymethylidene]-2-(1-hydroxybutyl)-1H-pyrimidine-4,5-dione Traditional Name: (6Z)-6-[[(3-chloro-4-methyl-benzyl)amino]-hydroxy-methylene]-2-(1-hydroxybutyl)-1H-pyrimidine-4,5-quinone Formula: C17H20ClN3O4 MolecularWeight: 365.8114

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NC(=O)C(=O)C(=C(NCC2=CC(=C(C=C2)C)Cl)O)N1)O

Isomeric SMILES

CCCC(C1=NC(=O)C(=O)/C(=C(\NCC2=CC(=C(C=C2)C)Cl)/O)/N1)O

InChI

InChI=1S/C17H20ClN3O4/c1-3-4-12(22)15-20-13(14(23)17(25)21-15)16(24)19-8-10-6-5-9(2)11(18)7-10/h5-7,12,19,22,24H,3-4,8H2,1-2H3,(H,20,21,25)/b16-13-