CAS No. 873436-91-0

 

Product Information

Chemical Formula: C18H21IN6O2S
Molecular Weight:512.37
Synonyms:6-Amino-8-[(6-Iodo-1,3-Benzodioxol-5-Yl)Thio]-N-(1-Methylethyl)-9H-Purine-9-Propanamine; Pu-H 71; 8-((6-Iodobenzo[D][1,3]Dioxol-5-Yl)Thio)-9-(3-(Isopropylamino)Propyl)-9H-Purin-6-Amine; Pu-H71 Trifluoroacetic Acid; 9H-Purine-9-Propanamine, 6-Amino-8-[(6-Iodo-1,3-Benzodioxol-5-Yl)Thio]-N-(1-Methylethyl)-; Nsc 750424; 6-Amino-8-[(6-Iodo-1,3-Benzodioxol-5-Yl)Thio]-N-(1-Methylethyl)-9H-Purine-9-Propanamine Pu-H71 Trifluoroacetic Acid; Pu-H71, >=98%
MDL No.:MFCD18251588
EINECS / EC No.:N/A
Pubchem CID:9549213
IUPAC Name:8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[3-(propan-2-ylamino)propyl]purin-6-amine
Standard InchI:InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23)
InchI Key:SUPVGFZUWFMATN-UHFFFAOYSA-N
SMILES:CC(C)NCCCN1C2=NC=NC(=C2N=C1SC3=C(C=C4C(=C3)OCO4)I)N
Appearance:-
Melting Point:66-69 °C
Boiling Point:N/A
Density (Theoretical):1.84

Safety Information

Signal Word: Warning
Hazard Statements:H302
Precautionary Statements:P280-P305+P351+P338
Transportation Information:N/A
GHS Pictograms:Exclamation Mark - GHS07