1-(3-chloranyl-4-fluoranyl-phenyl)-5-[(4-methylpiperazin-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-5-[(4-methylpiperazin-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-5-[(4-methylpiperazin-1-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3-chloro-4-fluorophenyl)-5-[(4-methyl-1-piperazinyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3-chloro-4-fluorophenyl)-5-[(4-methylpiperazin-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-[(4-methylpiperazino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H16ClFN4O2S MolecularWeight: 382.840243

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CN1CCN(CC1)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C16H16ClFN4O2S/c1-20-4-6-21(7-5-20)9-11-14(23)19-16(25)22(15(11)24)10-2-3-13(18)12(17)8-10/h2-3,8-9H,4-7H2,1H3,(H,19,23,25)