化学式

CAS号

IUPAC Name

(3aR,4S,6R,6aS)-6-[7-[[(1R,2S)-2-(3,4-二氟苯基)环丙基]氨基]-5-propylsulfanyltriazolo[4,5-d]嘧啶-3-基]-4-丙氧基-4,5,6,6a-四氢-3aH-环戊并[d][1,3]二氧杂环戊烯-2-酮 (3aR,4S,6R,6aS)-6-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-4-propoxy-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one

InChI

InChI=1S/C25H28F2N6O4S/c1-3-7-35-18-11-17(20-21(18)37-25(34)36-20)33-23-19(31-32-33)22(29-24(30-23)38-8-4-2)28-16-10-13(16)12-5-6-14(26)15(27)9-12/h5-6,9,13,16-18,20-21H,3-4,7-8,10-11H2,1-2H3,(H,28,29,30)/t13-,16+,17+,18-,20-,21+/m0/s1

InChI Key

UHKQHWKLDZUUAE-HMLJSJRSSA-N

Canonical SMILES

CCCOC1CC(C2C1OC(=O)O2)N3C4=NC(=NC(=C4N=N3)NC5CC5C6=CC(=C(C=C6)F)F)SCCC

别名

• SCHEMBL17249658