2-azanyl-9-[2-methyl-3-[1,2,2-tris(fluoranyl)ethyl]phenyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[2-methyl-3-[1,2,2-tris(fluoranyl)ethyl]phenyl]-3H-purin-6-one Openeye Name: 2-amino-9-[2-methyl-3-(1,2,2-trifluoroethyl)phenyl]-3H-purin-6-one CAS Name: 2-amino-9-[2-methyl-3-(1,2,2-trifluoroethyl)phenyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[2-methyl-3-(1,2,2-trifluoroethyl)phenyl]-3H-purin-6-one Traditional Name: 2-amino-9-[2-methyl-3-(1,2,2-trifluoroethyl)phenyl]-3H-purin-6-one Formula: C14H12F3N5O MolecularWeight: 323.27319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N2C=NC3=C2NC(=NC3=O)N)C(C(F)F)F

Isomeric SMILES

CC1=C(C=CC=C1N2C=NC3=C2NC(=NC3=O)N)C(C(F)F)F

InChI

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