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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H19N5
Molecular Weight 245.3235
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,4-Dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-piperidinamine, (3R,4R)-

SMILES

CN[C@H]1CN(CC[C@H]1C)C2=C3C=CNC3=NC=N2

InChI

InChIKey=MZLXAYQSECRJPN-KOLCDFICSA-N
InChI=1S/C13H19N5/c1-9-4-6-18(7-11(9)14-2)13-10-3-5-15-12(10)16-8-17-13/h3,5,8-9,11,14H,4,6-7H2,1-2H3,(H,15,16,17)/t9-,11+/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H19N5
Molecular Weight 245.3235
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
6WQQ764TE6
Record Status Validated (UNII)
Record Version