| CAS Number | 112233-74-6 |
| Catalog Number | AG01DG3K(AGN-PC-0NXVFS) |
| Chemical Name | N2-Acetyl-O6-(diphenylcarbamoyl)guanine |
| IUPAC Name | (2-acetamido-7H-purin-6-yl) N,N-diphenylcarbamate |
| InChI | InChI=1S/C20H16N6O3/c1-13(27)23-19-24-17-16(21-12-22-17)18(25-19)29-20(28)26(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12H,1H3,(H2,21,22,23,24,25,27) |
| InChI Key | YWKXGPPEBHDNGM-UHFFFAOYSA-N |
| MDL Number | MFCD01630925 |
| Molecular Formula | C20H16N6O3 |
| Molecular Weight | 388.3794 |
| SMILES | CC(=O)Nc1nc(OC(=O)N(c2ccccc2)c3ccccc3)c4[nH]cnc4n1 |
| Synonyms | 112233-74-6,
n2-acetyl-o6-(diphenylcarbamoyl)guanine,
2-Acetamido-7H-purin-6-yl diphenylcarbamate,
SCHEMBL536795,
ZINC2381468,
AKOS015911692,
AKOS027322419,
AKOS028112274,
2-n-acetyl-6-o-diphenylcarbamoylguanine,
2-acetamido-9H-purin-6-yl diphenylcarbamate,
2-(Acetylamino)-6-(diphenylcarbamoyloxy)-7H-purine,
I14-37490,
CID10293615,
(2-acetamido-7H-purin-6-yl) N,N-diphenylcarbamate,
Carbamicacid,diphenyl-,2-(acetylamino)-1H-purin-6-ylester,
|
| Complexity | 561 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 388.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 388.387g/mol |
| Monoisotopic Mass | 388.128g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number