(6E)-6-[[(4-methylsulfonylphenyl)methylamino]-oxidanyl-methylidene]-2-thiophen-2-yl-1H-pyrimidine-4,5-dione

Systemtic Name: (6E)-6-[[(4-methylsulfonylphenyl)methylamino]-oxidanyl-methylidene]-2-thiophen-2-yl-1H-pyrimidine-4,5-dione Openeye Name: (6E)-6-[hydroxy-[(4-methylsulfonylphenyl)methylamino]methylene]-2-(2-thienyl)-1H-pyrimidine-4,5-dione CAS Name: (6E)-6-[hydroxy-[(4-methylsulfonylphenyl)methylamino]methylidene]-2-thiophen-2-yl-1H-pyrimidine-4,5-dione IUPAC Name: (6E)-6-[hydroxy-[(4-methylsulfonylphenyl)methylamino]methylidene]-2-thiophen-2-yl-1H-pyrimidine-4,5-dione Traditional Name: (6E)-6-[hydroxy-[(4-mesylbenzyl)amino]methylene]-2-(2-thienyl)-1H-pyrimidine-4,5-quinone Formula: C17H15N3O5S2 MolecularWeight: 405.4481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNC(=C2C(=O)C(=O)N=C(N2)C3=CC=CS3)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN/C(=C\2/C(=O)C(=O)N=C(N2)C3=CC=CS3)/O

InChI

InChI=1S/C17H15N3O5S2/c1-27(24,25)11-6-4-10(5-7-11)9-18-16(22)13-14(21)17(23)20-15(19-13)12-3-2-8-26-12/h2-8,18,22H,9H2,1H3,(H,19,20,23)/b16-13+