AC1MYYAP
1-[(4-chlorophenyl)methyl]-8-(4-hydroxybutylamino)-3,7-dimethylpurine-2,6-dione
Also Known As: NCGC00102183-01|NCGC00102183-02|AB01305365-01|AE-641/10753036|SR-01000088199-1|1-(4-chlorobenzyl)-8-[(4-hydroxybutyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione|1-(4-chlorobenzyl)-8-((4-hydroxybutyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione|1-[(4-chlorophenyl)methyl]-8-(4-hydroxybutylamino)-3,7-dimethylpurine-2,6-dione|1-[(4-CHLOROPHENYL)METHYL]-8-[(4-HYDROXYBUTYL)AMINO]-3,7-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C18H22ClN5O3 |
|---|---|
| Molecular Weight | 391.1411 g/mol |
| LogP | 1.3198 |
| Topological Polar Surface Area | 94.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.1411 |
| Monoisotopic Mass | 391.1411 |
| Heavy Atoms | 27 |
| Complexity | 1065.7662 |
Chemical Identifiers
| CAS Number | 317841-81-9 |
|---|---|
| SMILES | CN1C2=C(N=C1NCCCCO)N(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)C |
Product Overview
AC1MYYAP (CAS 317841-81-9), with molecular formula C18H22ClN5O3 and molecular weight 391.1411 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-8-(4-hydroxybutylamino)-3,7-dimethylpurine-2,6-dione.
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