AC1LDFG4
3-methyl-8-(4-methylpyrimidin-2-yl)sulfanyl-7-(3-phenylpropyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5830677:001|NCGC00031373-02|BAS 07401830|AB00440075-10|3-Methyl-8-(4-methyl-pyrimidin-2-ylsulfanyl)-7-(3-phenyl-propyl)-3,7-dihydro-purine-2,6-dione|3-methyl-8-(4-methylpyrimidin-2-yl)sulfanyl-7-(3-phenylpropyl)purine-2,6-dione|3-methyl-8-(4-methylpyrimidin-2-ylthio)-7-(3-phenylpropyl)-1,3,7-trihydropurin e-2,6-dione|3-METHYL-8-[(4-METHYLPYRIMIDIN-2-YL)SULFANYL]-7-(3-PHENYLPROPYL)-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C20H20N6O2S |
|---|---|
| Molecular Weight | 408.13684 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.13684 |
| Monoisotopic Mass | 408.13684 |
| Heavy Atoms | 29 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 674366-29-1 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SC2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C |
| InChIKey | DRTXEKGGXURUTL-UHFFFAOYSA-N |
Product Overview
AC1LDFG4 (CAS 674366-29-1), with molecular formula C20H20N6O2S and molecular weight 408.13684 g/mol. IUPAC: 3-methyl-8-(4-methylpyrimidin-2-yl)sulfanyl-7-(3-phenylpropyl)purine-2,6-dione.
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