(6E)-6-[[(3-methoxyphenyl)methylamino]-oxidanyl-methylidene]-2-phenethyl-1H-pyrimidine-4,5-dione

Systemtic Name: (6E)-6-[[(3-methoxyphenyl)methylamino]-oxidanyl-methylidene]-2-phenethyl-1H-pyrimidine-4,5-dione Openeye Name: (6E)-6-[hydroxy-[(3-methoxyphenyl)methylamino]methylene]-2-phenethyl-1H-pyrimidine-4,5-dione CAS Name: (6E)-6-[hydroxy-[(3-methoxyphenyl)methylamino]methylidene]-2-phenethyl-1H-pyrimidine-4,5-dione IUPAC Name: (6E)-6-[hydroxy-[(3-methoxyphenyl)methylamino]methylidene]-2-phenethyl-1H-pyrimidine-4,5-dione Traditional Name: (6E)-6-[hydroxy-(m-anisylamino)methylene]-2-phenethyl-1H-pyrimidine-4,5-quinone Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=C2C(=O)C(=O)N=C(N2)CCC3=CC=CC=C3)O

Isomeric SMILES

COC1=CC=CC(=C1)CN/C(=C\2/C(=O)C(=O)N=C(N2)CCC3=CC=CC=C3)/O

InChI

InChI=1S/C21H21N3O4/c1-28-16-9-5-8-15(12-16)13-22-20(26)18-19(25)21(27)24-17(23-18)11-10-14-6-3-2-4-7-14/h2-9,12,22,26H,10-11,13H2,1H3,(H,23,24,27)/b20-18+