9-methyl-1-(4-methylphenyl)-2-[3,3,3-tris(fluoranyl)propylsulfanyl]purin-6-one

Systemtic Name: 9-methyl-1-(4-methylphenyl)-2-[3,3,3-tris(fluoranyl)propylsulfanyl]purin-6-one Openeye Name: 9-methyl-1-(p-tolyl)-2-(3,3,3-trifluoropropylsulfanyl)purin-6-one CAS Name: 9-methyl-1-(4-methylphenyl)-2-(3,3,3-trifluoropropylthio)-6-purinone IUPAC Name: 9-methyl-1-(4-methylphenyl)-2-(3,3,3-trifluoropropylsulfanyl)purin-6-one Traditional Name: 9-methyl-1-(p-tolyl)-2-(3,3,3-trifluoropropylthio)purin-6-one Formula: C16H15F3N4OS MolecularWeight: 368.37671

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCCC(F)(F)F)N(C=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCCC(F)(F)F)N(C=N3)C

InChI

InChI=1S/C16H15F3N4OS/c1-10-3-5-11(6-4-10)23-14(24)12-13(22(2)9-20-12)21-15(23)25-8-7-16(17,18)19/h3-6,9H,7-8H2,1-2H3