Catalog Number:
AG00BF0C
Chemical Name:
1,2-Cyclopentanediol, 3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]aMino]-5-(propylsulfonyl)-3H-1,2,3-triazolo[4,5-d]pyriMidin-3-yl]-5-(2-hydroxyethoxy)-, (1S,2S,3R,5S)-
CAS Number:
274693-39-9
Molecular Formula:
C23H28F2N6O6S
Molecular Weight:
554.5668
MDL Number:
MFCD25541661
IUPAC Name:
(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfonyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
InChI:
InChI=1S/C23H28F2N6O6S/c1-2-7-38(35,36)23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(37-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1
InChI Key:
LRDWQLSHMNMZAJ-FNOIDJSQSA-N
SMILES:
CCCS(=O)(=O)c1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO
