| CAS Number | 2070015-09-5 |
| Catalog Number | AG01EOPZ(AGN-PC-3H46H6) |
| Chemical Name | NU6300 |
| IUPAC Name | 6-(cyclohexylmethoxy)-N-(4-ethenylsulfonylphenyl)-7H-purin-2-amine |
| InChI | InChI=1S/C20H23N5O3S/c1-2-29(26,27)16-10-8-15(9-11-16)23-20-24-18-17(21-13-22-18)19(25-20)28-12-14-6-4-3-5-7-14/h2,8-11,13-14H,1,3-7,12H2,(H2,21,22,23,24,25) |
| InChI Key | KGWSQGUVJUGIPF-UHFFFAOYSA-N |
| MDL Number | MFCD00000056 |
| Molecular Formula | C20H23N5O3S |
| Molecular Weight | 413.4933 |
| SMILES | O=S(=O)(C=C)C1=CC=C(C=C1)NC2=NC=3N=CNC3C(=N2)OCC4CCCCC4 |
| Synonyms | NU6300,
2070015-09-5,
BCP23663,
AKOS032944933,
ZINC253387898,
CS-5147,
NU 6300,
HY-18930,
|
| Complexity | 641 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 413.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 413.496g/mol |
| Monoisotopic Mass | 413.152g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 118A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number