(Q72463815)

2-[[(3aR,4S,6R,6aS)-6-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol

inferred from SMILES

stereoisomer of

1 reference

inferred from InChI

chemical formula

C₂₆H₃₂F₂N₆O₄S

0 references

canonical SMILES

CCCSc1nc(NC2CC2c2ccc(F)c(F)c2)c2nnn(C3CC(OCCO)C4OC(C)(C)OC43)c2n1

1 reference

inferred from isomeric SMILES

isomeric SMILES

CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@H]4OC(C)(C)O[C@H]43)c2n1

1 reference

InChI=1S/C26H32F2N6O4S/c1-4-9-39-25-30-23(29-17-11-14(17)13-5-6-15(27)16(28)10-13)20-24(31-25)34(33-32-20)18-12-19(36-8-7-35)22-21(18)37-26(2,3)38-22/h5-6,10,14,17-19,21-22,35H,4,7-9,11-12H2,1-3H3,(H,29,30,31)/t14-,17+,18+,19-,21-,22+/m0/s1

inferred from InChI

Identifiers

InChI

0 references

matched by identifier from

1 reference

0 references

1 reference

SureChEMBL ID

SCHEMBL2133472

2 references

matched by identifier from

inferred from InChIKey

ECHA Substance Infocard database

EC number

682-426-2

1 reference

stated in

ECHA Substance Infocard ID

100.207.715

retrieved

29 December 2019

title

[No public or meaningful name is available] (English)

quotation

CAS no.: 274693-26-4 (English)

ECHA Substance Infocard ID

100.207.715

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.207.715

retrieved

29 December 2019

title

[No public or meaningful name is available] (English)

quotation

CAS no.: 274693-26-4 (English)

UNII

62GT6PT8T6

1 reference

matched by identifier from