AC1LTIW6
methyl 2-[[2-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetyl]amino]benzoate
Also Known As: A3693/0156711|methyl 2-[({[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetyl)amino]benzoate|Methyl 2-[[2-[[7-[(2-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]acetyl]amino]benzoate|Methyl 2-((2-((7-((2-chlorophenyl)methyl)-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio)acetyl)amino)benzoate|METHYL 2-[(2-{[7-(2-CHLOROBENZYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}ACETYL)AMINO]BENZOATE|methyl 2-[[2-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetyl]amino]benzoate
| Molecular Formula | C24H22ClN5O5S |
|---|---|
| Molecular Weight | 527.103 g/mol |
| LogP | 2.6528 |
| Topological Polar Surface Area | 117.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 527.103 |
| Monoisotopic Mass | 527.103 |
| Heavy Atoms | 36 |
| Complexity | 1606.9733 |
Chemical Identifiers
| CAS Number | 704875-02-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3=CC=CC=C3C(=O)OC)CC4=CC=CC=C4Cl |
Product Overview
AC1LTIW6 (CAS 704875-02-5), with molecular formula C24H22ClN5O5S and molecular weight 527.103 g/mol. IUPAC: methyl 2-[[2-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetyl]amino]benzoate.