AC1MKSHE
3-(2-ethoxyethyl)-1-methyl-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: BAS 12521352|UPCMLD0ENAT5731935:001|SR-01000827984-2|F2013-0268|3-(2-ethoxyethyl)-1-methyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione|3-(2-ethoxyethyl)-1-methyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione|3-(2-ethoxyethyl)-1-methyl-9-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione|3-(2-ethoxyethyl)-1-methyl-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
| Molecular Formula | C21H27N5O3 |
|---|---|
| Molecular Weight | 397.2114 g/mol |
| LogP | 1.386 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.2114 |
| Monoisotopic Mass | 397.2114 |
| Heavy Atoms | 29 |
| Complexity | 1113.2775 |
Chemical Identifiers
| CAS Number | 876151-16-5 |
|---|---|
| SMILES | CCOCCN1C(=O)C2=C(N=C3N2CCCN3CCC4=CC=CC=C4)N(C1=O)C |
Product Overview
AC1MKSHE (CAS 876151-16-5), with molecular formula C21H27N5O3 and molecular weight 397.2114 g/mol. IUPAC: 3-(2-ethoxyethyl)-1-methyl-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
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