1439901-97-9
(R)-6-amino-9-(1-but-2-ynoylpyrrolidin-3-yl)-7-(4-phenoxyphenyl)-7H-purin-8(9H)-one HCl salt
Name(R)-6-amino-9-(1-but-2-ynoylpyrrolidin-3-yl)-7-(4-phenoxyphenyl)-7H-purin-8(9H)-one HCl salt
1Identification
【Name】
(R)-6-amino-9-(1-but-2-ynoylpyrrolidin-3-yl)-7-(4-phenoxyphenyl)-7H-purin-8(9H)-one HCl salt
【CAS】
【MDL】
【English Synonyms】
【Formula】
C25H23ClN6O3
【MolWeight】
490.942
【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
【InChIKey】
InChIKey=UQYDCIJFACDXSG-GMUIIQOCSA-N
【SMILES】
Cl.NC1=C2N(C(N(C2=NC=N1)[C@H]1CN(CC1)C(C#CC)=O)=O)C1=CC=C(C=C1)OC1=CC=CC=C1
【MOL File】
(R)-6-amino-9-(1-but….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
(R)-6-amino-9-(1-but-2-ynoylpyrrolidin-3-yl)-7-(4-phenoxyphenyl)-7H-purin-8(9H)-one HCl salt.cml