Catalog Number:
AG000YUG
Chemical Name:
ENMD-2076 (Tartrate)
CAS Number:
1291074-87-7
Molecular Formula:
C25H31N7O6
Molecular Weight:
525.5569
MDL Number:
MFCD18074523
IUPAC Name:
(2R,3R)-2,3-dihydroxybutanedioic acid;6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine
InChI:
InChI=1S/C21H25N7.C4H6O6/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17;5-1(3(7)8)2(6)4(9)10/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26);1-2,5-6H,(H,7,8)(H,9,10)/b9-8+;/t;1-,2-/m.1/s1
InChI Key:
KGWWHPZQLVVAPT-STTJLUEPSA-N
SMILES:
OC(=O)[C@H]([C@@H](C(=O)O)O)O.CN1CCN(CC1)c1nc(C=Cc2ccccc2)nc(c1)Nc1n[nH]c(c1)C
UNII:
KXQ762CQTH
