Catalog Number:
AG002INR
Chemical Name:
N6-Benzoyl-2'-deoxyadenosine hydrate
CAS Number:
206752-42-3
Molecular Formula:
C17H19N5O5
Molecular Weight:
373.3633
MDL Number:
MFCD00009628
IUPAC Name:
N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide;hydrate
InChI:
InChI=1S/C17H17N5O4.H2O/c23-7-12-11(24)6-13(26-12)22-9-20-14-15(18-8-19-16(14)22)21-17(25)10-4-2-1-3-5-10;/h1-5,8-9,11-13,23-24H,6-7H2,(H,18,19,21,25);1H2/t11-,12+,13+;/m0./s1
InChI Key:
WRMYMWRRSSDKIJ-LUHWTZLKSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2NC(=O)c1ccccc1.O
