AC1LDDN7
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]purine-2,6-dione
Also Known As: BAS 08333537|UPCMLD0ENAT5731897:001|AB00409990-07|SR-01000363126-1|7-(4-Chloro-benzyl)-1,3-dimethyl-8-(5-methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-3,7-dihydro-purine-2,6-dione|7-(4-chlorobenzyl)-1,3-dimethyl-8-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-1H-purine-2,6(3H,7H)-dione|7-(4-chlorobenzyl)-1,3-dimethyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione|7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(5-methyl(1,3,4-thiadiazol-2-ylthio) )-1,3,7-trihydropurine-2,6-dione|7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]purine-2,6-dione
| Molecular Formula | C17H15ClN6O2S2 |
|---|---|
| Molecular Weight | 434.03864 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.03864 |
| Monoisotopic Mass | 434.03864 |
| Heavy Atoms | 28 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 797775-55-4 |
|---|---|
| SMILES | CC1=NN=C(S1)SC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)C |
| InChIKey | OBBZKTFEZUEWHM-UHFFFAOYSA-N |
Product Overview
AC1LDDN7 (CAS 797775-55-4), with molecular formula C17H15ClN6O2S2 and molecular weight 434.03864 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]purine-2,6-dione.
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