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6-[[2,6-bis(fluoranyl)phenyl]methyl]-2-cyclopentylsulfanyl-5-methyl-1H-pyrimidin-4-one

6-[[2,6-bis(fluoranyl)phenyl]methyl]-2-cyclopentylsulfanyl-5-methyl-1H-pyrimidin-4-one

Systemtic Name:6-[[2,6-bis(fluoranyl)phenyl]methyl]-2-cyclopentylsulfanyl-5-methyl-1H-pyrimidin-4-one
Openeye Name:2-cyclopentylsulfanyl-6-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-4-one
CAS Name:2-(cyclopentylthio)-6-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-4-one
IUPAC Name:2-cyclopentylsulfanyl-6-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-4-one
Traditional Name:2-(cyclopentylthio)-6-(2,6-difluorobenzyl)-5-methyl-1H-pyrimidin-4-one
Formula: C17H18F2N2OS
MolecularWeight: 336.399426
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SC2CCCC2)CC3=C(C=CC=C3F)F


Isomeric SMILES

CC1=C(NC(=NC1=O)SC2CCCC2)CC3=C(C=CC=C3F)F


InChI

InChI=1S/C17H18F2N2OS/c1-10-15(9-12-13(18)7-4-8-14(12)19)20-17(21-16(10)22)23-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H,20,21,22)


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