5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-methyl-2-prop-2-ynylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-methyl-2-prop-2-ynylsulfanyl-1H-pyrimidin-4-one Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methyl]-6-methyl-2-prop-2-ynylsulfanyl-1H-pyrimidin-4-one CAS Name: 5-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-(prop-2-ynylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-prop-2-ynylsulfanyl-1H-pyrimidin-4-one Traditional Name: 5-(2-chloro-6-fluoro-benzyl)-6-methyl-2-(propargylthio)-1H-pyrimidin-4-one Formula: C15H12ClFN2OS MolecularWeight: 322.784983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC#C)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC#C)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C15H12ClFN2OS/c1-3-7-21-15-18-9(2)10(14(20)19-15)8-11-12(16)5-4-6-13(11)17/h1,4-6H,7-8H2,2H3,(H,18,19,20)