Catalog Number:
AG0003TO
Chemical Name:
Benzoic acid, 4-[(2-amino-6-chloro-9H-purin-9-yl)methyl]-, methyl ester
CAS Number:
101134-10-5
Molecular Formula:
C14H12ClN5O2
Molecular Weight:
317.7304
IUPAC Name:
methyl 4-[(2-amino-6-chloropurin-9-yl)methyl]benzoate
InChI:
InChI=1S/C14H12ClN5O2/c1-22-13(21)9-4-2-8(3-5-9)6-20-7-17-10-11(15)18-14(16)19-12(10)20/h2-5,7H,6H2,1H3,(H2,16,18,19)
InChI Key:
SPWAKHGMNTWMIR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)Cn1cnc2c1nc(N)nc2Cl