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

Systemtic Name: (6Z)-6-[[(3-chloranyl-4-methyl-phenyl)methylamino]-oxidanyl-methylidene]-2-(1-phenylethyl)-1H-pyrimidine-4,5-dione Openeye Name: (6Z)-6-[[(3-chloro-4-methyl-phenyl)methylamino]-hydroxy-methylene]-2-(1-phenylethyl)-1H-pyrimidine-4,5-dione CAS Name: (6Z)-6-[[(3-chloro-4-methylphenyl)methylamino]-hydroxymethylidene]-2-(1-phenylethyl)-1H-pyrimidine-4,5-dione IUPAC Name: (6Z)-6-[[(3-chloro-4-methylphenyl)methylamino]-hydroxymethylidene]-2-(1-phenylethyl)-1H-pyrimidine-4,5-dione Traditional Name: (6Z)-6-[[(3-chloro-4-methyl-benzyl)amino]-hydroxy-methylene]-2-(1-phenylethyl)-1H-pyrimidine-4,5-quinone Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=C2C(=O)C(=O)N=C(N2)C(C)C3=CC=CC=C3)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CN/C(=C/2\C(=O)C(=O)N=C(N2)C(C)C3=CC=CC=C3)/O)Cl

InChI

InChI=1S/C21H20ClN3O3/c1-12-8-9-14(10-16(12)22)11-23-20(27)17-18(26)21(28)25-19(24-17)13(2)15-6-4-3-5-7-15/h3-10,13,23,27H,11H2,1-2H3,(H,24,25,28)/b20-17-