AC1MKSMJ
9-(3-chloro-2-methylphenyl)-3-(2-methoxyethyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: BAS 12521692|9-(3-chloro-2-methylphenyl)-3-(2-methoxyethyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione|SR-01000142624-1|F2013-0854|9-(3-chloro-2-methylphenyl)-3-(2-methoxyethyl)-1,7-dimethyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione|9-(3-chloro-2-methylphenyl)-3-(2-methoxyethyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione|9-(3-chloro-2-methylphenyl)-3-(2-methoxyethyl)-1,7-dimethyl-1,3,5-trihydro-6H, 7H,8H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione
| Molecular Formula | C20H24ClN5O3 |
|---|---|
| Molecular Weight | 417.15677 g/mol |
| LogP | 2.29272 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.15677 |
| Monoisotopic Mass | 417.15677 |
| Heavy Atoms | 29 |
| Complexity | 1209.5178 |
Chemical Identifiers
| CAS Number | 876901-00-7 |
|---|---|
| SMILES | CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CCOC)C4=C(C(=CC=C4)Cl)C |
Product Overview
AC1MKSMJ (CAS 876901-00-7), with molecular formula C20H24ClN5O3 and molecular weight 417.15677 g/mol. IUPAC: 9-(3-chloro-2-methylphenyl)-3-(2-methoxyethyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
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