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

Systemtic Name: 2-azanyl-9-[2,2-bis(fluoranyl)-3,3-bis(oxidanyl)-3-phenyl-propyl]-3H-purin-6-one Openeye Name: 2-amino-9-(2,2-difluoro-3,3-dihydroxy-3-phenyl-propyl)-3H-purin-6-one CAS Name: 2-amino-9-(2,2-difluoro-3,3-dihydroxy-3-phenylpropyl)-3H-purin-6-one IUPAC Name: 2-amino-9-(2,2-difluoro-3,3-dihydroxy-3-phenylpropyl)-3H-purin-6-one Traditional Name: 2-amino-9-(2,2-difluoro-3,3-dihydroxy-3-phenyl-propyl)-3H-purin-6-one Formula: C14H13F2N5O3 MolecularWeight: 337.281526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CN2C=NC3=C2NC(=NC3=O)N)(F)F)(O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(CN2C=NC3=C2NC(=NC3=O)N)(F)F)(O)O

InChI

InChI=1S/C14H13F2N5O3/c15-13(16,14(23,24)8-4-2-1-3-5-8)6-21-7-18-9-10(21)19-12(17)20-11(9)22/h1-5,7,23-24H,6H2,(H3,17,19,20,22)