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

Systemtic Name: (6Z)-6-[[(4-fluorophenyl)methylamino]-oxidanyl-methylidene]-2-(1,2,4-trimethylpiperazin-2-yl)-1H-pyrimidine-4,5-dione hydrochloride Openeye Name: (6Z)-6-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-2-(1,2,4-trimethylpiperazin-2-yl)-1H-pyrimidine-4,5-dione hydrochloride CAS Name: (6Z)-6-[[(4-fluorophenyl)methylamino]-hydroxymethylidene]-2-(1,2,4-trimethyl-2-piperazinyl)-1H-pyrimidine-4,5-dione hydrochloride IUPAC Name: (6Z)-6-[[(4-fluorophenyl)methylamino]-hydroxymethylidene]-2-(1,2,4-trimethylpiperazin-2-yl)-1H-pyrimidine-4,5-dione hydrochloride Traditional Name: (6Z)-6-[[(4-fluorobenzyl)amino]-hydroxy-methylene]-2-(1,2,4-trimethylpiperazin-2-yl)-1H-pyrimidine-4,5-quinone hydrochloride Formula: C19H25ClFN5O3 MolecularWeight: 425.884903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCN1C)C)C2=NC(=O)C(=O)C(=C(NCC3=CC=C(C=C3)F)O)N2.Cl

Isomeric SMILES

CC1(CN(CCN1C)C)C2=NC(=O)C(=O)/C(=C(\NCC3=CC=C(C=C3)F)/O)/N2.Cl

InChI

InChI=1S/C19H24FN5O3.ClH/c1-19(11-24(2)8-9-25(19)3)18-22-14(15(26)17(28)23-18)16(27)21-10-12-4-6-13(20)7-5-12;/h4-7,21,27H,8-11H2,1-3H3,(H,22,23,28);1H/b16-14-;