(6Z)-6-[[(4-fluorophenyl)methylamino]-oxidanyl-methylidene]-2-(1-methyl-4-methylsulfonyl-piperazin-2-yl)-1H-pyrimidine-4,5-dione

Systemtic Name: (6Z)-6-[[(4-fluorophenyl)methylamino]-oxidanyl-methylidene]-2-(1-methyl-4-methylsulfonyl-piperazin-2-yl)-1H-pyrimidine-4,5-dione Openeye Name: (6Z)-6-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-2-(1-methyl-4-methylsulfonyl-piperazin-2-yl)-1H-pyrimidine-4,5-dione CAS Name: (6Z)-6-[[(4-fluorophenyl)methylamino]-hydroxymethylidene]-2-(1-methyl-4-methylsulfonyl-2-piperazinyl)-1H-pyrimidine-4,5-dione IUPAC Name: (6Z)-6-[[(4-fluorophenyl)methylamino]-hydroxymethylidene]-2-(1-methyl-4-methylsulfonylpiperazin-2-yl)-1H-pyrimidine-4,5-dione Traditional Name: (6Z)-6-[[(4-fluorobenzyl)amino]-hydroxy-methylene]-2-(4-mesyl-1-methyl-piperazin-2-yl)-1H-pyrimidine-4,5-quinone Formula: C18H22FN5O5S MolecularWeight: 439.461183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1C2=NC(=O)C(=O)C(=C(NCC3=CC=C(C=C3)F)O)N2)S(=O)(=O)C

Isomeric SMILES

CN1CCN(CC1C2=NC(=O)C(=O)/C(=C(\NCC3=CC=C(C=C3)F)/O)/N2)S(=O)(=O)C

InChI

InChI=1S/C18H22FN5O5S/c1-23-7-8-24(30(2,28)29)10-13(23)16-21-14(15(25)18(27)22-16)17(26)20-9-11-3-5-12(19)6-4-11/h3-6,13,20,26H,7-10H2,1-2H3,(H,21,22,27)/b17-14-