Catalog Number:
AG009CJG
Chemical Name:
Ono-4059
CAS Number:
1351635-67-0
Molecular Formula:
C25H24N6O3
Molecular Weight:
456.4965
MDL Number:
MFCD29049511
IUPAC Name:
6-amino-7-(4-phenoxyphenyl)-9-[(3S)-1-prop-2-enoylpiperidin-3-yl]purin-8-one
InChI:
InChI=1S/C25H24N6O3/c1-2-21(32)29-14-6-7-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-10-12-20(13-11-17)34-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m0/s1
InChI Key:
KSUDUUBCXJUFRL-SFHVURJKSA-N
SMILES:
C=CC(=O)N1CCCC(C1)n1c(=O)n(c2c1ncnc2N)c1ccc(cc1)Oc1ccccc1
