6-azanyl-2-methyl-9-[[3-(trifluoromethyl)phenyl]methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-methyl-9-[[3-(trifluoromethyl)phenyl]methyl]-7H-purin-8-one Openeye Name: 6-amino-2-methyl-9-[[3-(trifluoromethyl)phenyl]methyl]-7H-purin-8-one CAS Name: 6-amino-2-methyl-9-[[3-(trifluoromethyl)phenyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-methyl-9-[[3-(trifluoromethyl)phenyl]methyl]-7H-purin-8-one Traditional Name: 6-amino-2-methyl-9-[3-(trifluoromethyl)benzyl]-7H-purin-8-one Formula: C14H12F3N5O MolecularWeight: 323.27319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C14H12F3N5O/c1-7-19-11(18)10-12(20-7)22(13(23)21-10)6-8-3-2-4-9(5-8)14(15,16)17/h2-5H,6H2,1H3,(H,21,23)(H2,18,19,20)