AC1LDCTU
2-[(11-methyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]acetamide
Also Known As: 2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide|2-[(7-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-4-yl)sulfanyl]acetamide|2-[(7-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-4-yl)sulfanyl]ethanamide|2-[[7-methyl-2-(methylthio)-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]acetamide|2-{[7-methyl-2-(methylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
| Molecular Formula | C13H16N4OS3 |
|---|---|
| Molecular Weight | 340.0486 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.0486 |
| Monoisotopic Mass | 340.0486 |
| Heavy Atoms | 21 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 848751-69-9 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=NC(=N3)SC)SCC(=O)N |
| InChIKey | LEHILYXPEHRELT-UHFFFAOYSA-N |
Product Overview
AC1LDCTU (CAS 848751-69-9), with molecular formula C13H16N4OS3 and molecular weight 340.0486 g/mol. IUPAC: 2-[(11-methyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]acetamide.