(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]methanone Openeye Name: (5-chloro-2-methylsulfanyl-pyrimidin-4-yl)-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-yl]methanone CAS Name: [5-chloro-2-(methylthio)-4-pyrimidinyl]-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone Traditional Name: [5-chloro-2-(methylthio)pyrimidin-4-yl]-[4-(5-fluoro-2-methoxy-benzyl)piperazino]methanone Formula: C18H20ClFN4O2S MolecularWeight: 410.893403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)CN2CCN(CC2)C(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

COC1=C(C=C(C=C1)F)CN2CCN(CC2)C(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C18H20ClFN4O2S/c1-26-15-4-3-13(20)9-12(15)11-23-5-7-24(8-6-23)17(25)16-14(19)10-21-18(22-16)27-2/h3-4,9-10H,5-8,11H2,1-2H3