Catalog Number:
AG00ABSW
Chemical Name:
ONO-4059 hydrochloride
CAS Number:
1439901-97-9
Molecular Formula:
C25H23ClN6O3
Molecular Weight:
490.9415
MDL Number:
MFCD30187521
IUPAC Name:
6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;hydrochloride
InChI:
InChI=1S/C25H22N6O3.ClH/c1-2-6-21(32)29-14-13-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19;/h3-5,7-12,16,18H,13-15H2,1H3,(H2,26,27,28);1H/t18-;/m1./s1
InChI Key:
UQYDCIJFACDXSG-GMUIIQOCSA-N
SMILES:
CC#CC(=O)N1CC[C@H](C1)n1c(=O)n(c2c1ncnc2N)c1ccc(cc1)Oc1ccccc1.Cl
UNII:
U374135N48
