9-[[2,6-bis(fluoranyl)-3-methyl-phenyl]methyl]-2-butylsulfanyl-3H-purin-6-one

Systemtic Name: 9-[[2,6-bis(fluoranyl)-3-methyl-phenyl]methyl]-2-butylsulfanyl-3H-purin-6-one Openeye Name: 2-butylsulfanyl-9-[(2,6-difluoro-3-methyl-phenyl)methyl]-3H-purin-6-one CAS Name: 2-(butylthio)-9-[(2,6-difluoro-3-methylphenyl)methyl]-3H-purin-6-one IUPAC Name: 2-butylsulfanyl-9-[(2,6-difluoro-3-methylphenyl)methyl]-3H-purin-6-one Traditional Name: 2-(butylthio)-9-(2,6-difluoro-3-methyl-benzyl)-3H-purin-6-one Formula: C17H18F2N4OS MolecularWeight: 364.412826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)C2=C(N1)N(C=N2)CC3=C(C=CC(=C3F)C)F

Isomeric SMILES

CCCCSC1=NC(=O)C2=C(N1)N(C=N2)CC3=C(C=CC(=C3F)C)F

InChI

InChI=1S/C17H18F2N4OS/c1-3-4-7-25-17-21-15-14(16(24)22-17)20-9-23(15)8-11-12(18)6-5-10(2)13(11)19/h5-6,9H,3-4,7-8H2,1-2H3,(H,21,22,24)