| CAS Number | 1059070-10-8 |
| Catalog Number | AG01ENNM(AGN-PC-3H460E) |
| Chemical Name | 6-Amino-2-(butylamino)-9-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-7,9-dihydro-8H-purin-8-one |
| IUPAC Name | 6-amino-2-(butylamino)-9-[[6-[2-(dimethylamino)ethoxy]pyridin-3-yl]methyl]-7H-purin-8-one |
| InChI | InChI=1S/C19H28N8O2/c1-4-5-8-21-18-24-16(20)15-17(25-18)27(19(28)23-15)12-13-6-7-14(22-11-13)29-10-9-26(2)3/h6-7,11H,4-5,8-10,12H2,1-3H3,(H,23,28)(H3,20,21,24,25) |
| InChI Key | SSZHESNDOMBSRV-UHFFFAOYSA-N |
| MDL Number | MFCD30182245 |
| Molecular Formula | C19H28N8O2 |
| Molecular Weight | 400.4780 |
| SMILES | O=C1N(C2=NC(NCCCC)=NC(N)=C2N1)CC3=CC=C(N=C3)OCCN(C)C |
| Synonyms | DSR 6434,
1059070-10-8,
CHEMBL2315158,
6-Amino-2-(butylamino)-9-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-7,9-dihydro-8H-purin-8-one,
SCHEMBL1146577,
SCHEMBL13448863,
BDBM50425234,
ZINC43200174,
AKOS025147319,
NCGC00387452-01,
6-amino-2-(butylamino)-9-((6-(2-(dimethylamino)ethoxy)pyridin-3-yl)methyl)-7,9-dihydro-8h-purin-8-one,
SSZHESNDOMBSRV-UHFFFAOYSA-N,
|
| Complexity | 522 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 400.234g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 400.487g/mol |
| Monoisotopic Mass | 400.234g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 122A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number