AC1NJVAL
ethyl 2-[9-(3-chloro-2-methylphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
Also Known As: BAS 12521695|UPCMLD0ENAT5878475:001|SR-01000142627-1|F2013-0857|ethyl 2-(9-(3-chloro-2-methylphenyl)-1,7-dimethyl-2,4-dioxo-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetate|ethyl 2-[9-(3-chloro-2-methylphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate|ethyl 2-[9-(3-chloro-2-methylphenyl)-1,7-dimethyl-2,4-dioxo-1,3,5-trihydro-6H, 7H,8H-1,3-diazaperhydroino[1,2-h]purin-3-yl]acetate|ethyl 2-[9-(3-chloro-2-methylphenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate
| Molecular Formula | C21H24ClN5O4 |
|---|---|
| Molecular Weight | 445.15167 g/mol |
| LogP | 2.20942 |
| Topological Polar Surface Area | 91.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.15167 |
| Monoisotopic Mass | 445.15167 |
| Heavy Atoms | 31 |
| Complexity | 1305.8131 |
Chemical Identifiers
| CAS Number | 876901-06-3 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C2=C(N=C3N2CC(CN3C4=C(C(=CC=C4)Cl)C)C)N(C1=O)C |
Product Overview
AC1NJVAL (CAS 876901-06-3), with molecular formula C21H24ClN5O4 and molecular weight 445.15167 g/mol. IUPAC: ethyl 2-[9-(3-chloro-2-methylphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate.