AC1MLXV3
12-ethyl-12-methyl-5-propan-2-ylsulfanyl-N-(pyridin-2-ylmethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
Also Known As: 6-ethyl-2-(isopropylthio)-6-methyl-N-(pyridin-2-ylmethyl)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine|6-ethyl-6-methyl-2-(propan-2-ylsulfanyl)-N-(pyridin-2-ylmethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
| Molecular Formula | C21H26N4OS2 |
|---|---|
| Molecular Weight | 414.15482 g/mol |
| LogP | 5.4403 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.15482 |
| Monoisotopic Mass | 414.15482 |
| Heavy Atoms | 28 |
| Complexity | 973.4461 |
Chemical Identifiers
| CAS Number | 848748-54-9 |
|---|---|
| SMILES | CCC1(CC2=C(CO1)SC3=NC(=NC(=C23)NCC4=CC=CC=N4)SC(C)C)C |
Product Overview
AC1MLXV3 (CAS 848748-54-9), with molecular formula C21H26N4OS2 and molecular weight 414.15482 g/mol. IUPAC: 12-ethyl-12-methyl-5-propan-2-ylsulfanyl-N-(pyridin-2-ylmethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine.
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