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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C(N2C=NC3=C2NC(=NC3=O)N)(F)F)O

Isomeric SMILES

CC(C1=CC=CC=C1)(C(N2C=NC3=C2NC(=NC3=O)N)(F)F)O

InChI

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