9-[2,6-bis(fluoranyl)phenyl]-8-oxidanylidene-2-[(2S)-pentan-2-yl]-7H-purine-6-carboxamide

Systemtic Name: 9-[2,6-bis(fluoranyl)phenyl]-8-oxidanylidene-2-[(2S)-pentan-2-yl]-7H-purine-6-carboxamide Openeye Name: 9-(2,6-difluorophenyl)-2-[(1S)-1-methylbutyl]-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(2,6-difluorophenyl)-8-oxo-2-[(2S)-pentan-2-yl]-7H-purine-6-carboxamide IUPAC Name: 9-(2,6-difluorophenyl)-8-oxo-2-[(2S)-pentan-2-yl]-7H-purine-6-carboxamide Traditional Name: 9-(2,6-difluorophenyl)-8-keto-2-[(1S)-1-methylbutyl]-7H-purine-6-carboxamide Formula: C17H17F2N5O2 MolecularWeight: 361.345986

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=NC(=C2C(=N1)N(C(=O)N2)C3=C(C=CC=C3F)F)C(=O)N

Isomeric SMILES

CCC[C@H](C)C1=NC(=C2C(=N1)N(C(=O)N2)C3=C(C=CC=C3F)F)C(=O)N

InChI

InChI=1S/C17H17F2N5O2/c1-3-5-8(2)15-21-11(14(20)25)12-16(23-15)24(17(26)22-12)13-9(18)6-4-7-10(13)19/h4,6-8H,3,5H2,1-2H3,(H2,20,25)(H,22,26)/t8-/m0/s1