N,N’-Bis(3R,4R)-1-cyanoacetyl-4-methylpiperidin-3-yl-N,N’-dimethyl-7-deazapurine-2,6-diamine

Analyte Name

N,N'-Bis(3R,4R)-1-cyanoacetyl-4-methylpiperidin-3-yl-N,N'-dimethyl-7-deazapurine-2,6-diamine

Molecular Formula

C26 H35 N9 O2

Molecular Weight

505.615

Accurate Mass

505.291

SMILES

C[C@@H]1CCN(C[C@@H]1N(C)c2nc(N(C)[C@H]3CN(CC[C@H]3C)C(=O)CC#N)c4cc[nH]c4n2)C(=O)CC#N

InChI

InChI=1S/C26H35N9O2/c1-17-8-13-34(22(36)5-10-27)15-20(17)32(3)25-19-7-12-29-24(19)30-26(31-25)33(4)21-16-35(14-9-18(21)2)23(37)6-11-28/h7,12,17-18,20-21H,5-6,8-9,13-16H2,1-4H3,(H,29,30,31)/t17-,18-,20+,21+/m1/s1

IUPAC

3-[(3R,4R)-3-[[2-[[(3R,4R)-1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]-methylamino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-methylamino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat