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

Systemtic Name: 2-azanyl-9-[3-[2,2-bis(fluoranyl)-1-oxidanyl-ethyl]-2-methyl-phenyl]-3H-purin-6-one Openeye Name: 2-amino-9-[3-(2,2-difluoro-1-hydroxy-ethyl)-2-methyl-phenyl]-3H-purin-6-one CAS Name: 2-amino-9-[3-(2,2-difluoro-1-hydroxyethyl)-2-methylphenyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[3-(2,2-difluoro-1-hydroxyethyl)-2-methylphenyl]-3H-purin-6-one Traditional Name: 2-amino-9-[3-(2,2-difluoro-1-hydroxy-ethyl)-2-methyl-phenyl]-3H-purin-6-one Formula: C14H13F2N5O2 MolecularWeight: 321.282126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13F2N5O2/c1-6-7(10(22)11(15)16)3-2-4-8(6)21-5-18-9-12(21)19-14(17)20-13(9)23/h2-5,10-11,22H,1H3,(H3,17,19,20,23)