Molecular Weight (g/mol)

457.5

Molecular Formula

C22H27N5O4S

InChI

InChI=1S/C15H19N5O.C7H8O3S/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15;1-6-2-4-7(5-3-6)11(8,9)10/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19);2-5H,1H3,(H,8,9,10)/t10-,11+;/m0./s1

InChIKey

YOZLVAFWYLSRRN-VZXYPILPSA-N

SMILES

C[C@H]1CC[C@H](CN1C(=O)C=C)NC2=NC=NC3=C2C=CN3.CC1=CC=C(C=C1)S(=O)(=O)O

IUPAC Name

4-methylbenzenesulfonic acid;1-[(2S,5R)-2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]prop-2-en-1-one

Exact Mass (Da)

457.17837553

Monoisotopic Mass (Da)

457.17837553