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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H22N8
Molecular Weight 362.4323
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-METHYL-N-((3R,4R)-4-METHYL-1-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)PIPERIDIN-3-YL)-7H-PYRROLO(2,3-D)PYRIMIDIN-4-AMINE

SMILES

C[C@]1([H])CCN(C[C@]1([H])N(C)c2c3cc[nH]c3ncn2)c4c5cc[nH]c5ncn4

InChI

InChIKey=SMRQHAISNZVPQG-DOMZBBRYSA-N
InChI=1S/C19H22N8/c1-12-5-8-27(19-14-4-7-21-17(14)23-11-25-19)9-15(12)26(2)18-13-3-6-20-16(13)22-10-24-18/h3-4,6-7,10-12,15H,5,8-9H2,1-2H3,(H,20,22,24)(H,21,23,25)/t12-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H22N8
Molecular Weight 362.4323
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 20:47:28 UTC 2021
Edited
by admin
on Fri Jun 25 20:47:28 UTC 2021
Record UNII
7GG8V8NPD3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-METHYL-N-((3R,4R)-4-METHYL-1-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)PIPERIDIN-3-YL)-7H-PYRROLO(2,3-D)PYRIMIDIN-4-AMINE
Systematic Name English
7H-PYRROLO(2,3-D)PYRIMIDIN-4-AMINE, N-METHYL-N-((3R,4R)-4-METHYL-1-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)-3-PIPERIDINYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
7GG8V8NPD3
Created by admin on Fri Jun 25 20:47:28 UTC 2021 , Edited by admin on Fri Jun 25 20:47:28 UTC 2021
PRIMARY
PUBCHEM
151871061
Created by admin on Fri Jun 25 20:47:28 UTC 2021 , Edited by admin on Fri Jun 25 20:47:28 UTC 2021
PRIMARY
CAS
2504210-38-0
Created by admin on Fri Jun 25 20:47:28 UTC 2021 , Edited by admin on Fri Jun 25 20:47:28 UTC 2021
PRIMARY
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