Identiteet

C24H28F2N6O3S

Pole loetletud · C24H28F2N6O3S

01Identiteet

Lazychem IDLC-35906
CAS RNPole loetletud
PubChem CID123518015
Molecular formulaC24H28F2N6O3S
Molecular weight518.6 g/mol
IUPAC name6-[7-[[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-ol
InChIKeyGIHHRVYXULTCNA-UHFFFAOYSA-N

02Struktuur ja stereokeemia

2D structurePubChem CID 123518015
Two-dimensional chemical structure of C24H28F2N6O3S
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.
SMILESCCCSC1=NC(=C2C(=N1)N(N=N2)C3CC(C4C3OC(O4)(C)C)O)NC5CC5C6=CC(=C(C=C6)F)F
InChIPole loetletud

03Stereochemistry

The published structure contains 0 defined and 6 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres6Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 64Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Staatus Indias

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

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