1-[6-azanyl-8-[2,5-bis(fluoranyl)phenyl]-9-cyclopentyl-purin-2-yl]-3-ethyl-pentan-3-ol

Systemtic Name: 1-[6-azanyl-8-[2,5-bis(fluoranyl)phenyl]-9-cyclopentyl-purin-2-yl]-3-ethyl-pentan-3-ol Openeye Name: 1-[6-amino-9-cyclopentyl-8-(2,5-difluorophenyl)purin-2-yl]-3-ethyl-pentan-3-ol CAS Name: 1-[6-amino-9-cyclopentyl-8-(2,5-difluorophenyl)-2-purinyl]-3-ethyl-3-pentanol IUPAC Name: 1-[6-amino-9-cyclopentyl-8-(2,5-difluorophenyl)purin-2-yl]-3-ethylpentan-3-ol Traditional Name: 1-[6-amino-9-cyclopentyl-8-(2,5-difluorophenyl)purin-2-yl]-3-ethyl-pentan-3-ol Formula: C23H29F2N5O MolecularWeight: 429.506066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCC1=NC2=C(C(=N1)N)N=C(N2C3CCCC3)C4=C(C=CC(=C4)F)F)O

Isomeric SMILES

CCC(CC)(CCC1=NC2=C(C(=N1)N)N=C(N2C3CCCC3)C4=C(C=CC(=C4)F)F)O

InChI

InChI=1S/C23H29F2N5O/c1-3-23(31,4-2)12-11-18-27-20(26)19-22(28-18)30(15-7-5-6-8-15)21(29-19)16-13-14(24)9-10-17(16)25/h9-10,13,15,31H,3-8,11-12H2,1-2H3,(H2,26,27,28)