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

Systemtic Name: 9-methyl-6-[[3-(trifluoromethyl)phenyl]amino]-7H-purin-8-one Openeye Name: 9-methyl-6-[3-(trifluoromethyl)anilino]-7H-purin-8-one CAS Name: 9-methyl-6-[3-(trifluoromethyl)anilino]-7H-purin-8-one IUPAC Name: 9-methyl-6-[3-(trifluoromethyl)anilino]-7H-purin-8-one Traditional Name: 9-methyl-6-[3-(trifluoromethyl)anilino]-7H-purin-8-one Formula: C13H10F3N5O MolecularWeight: 309.24661

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC=N2)NC3=CC=CC(=C3)C(F)(F)F)NC1=O

Isomeric SMILES

CN1C2=C(C(=NC=N2)NC3=CC=CC(=C3)C(F)(F)F)NC1=O

InChI

InChI=1S/C13H10F3N5O/c1-21-11-9(20-12(21)22)10(17-6-18-11)19-8-4-2-3-7(5-8)13(14,15)16/h2-6H,1H3,(H,20,22)(H,17,18,19)