AC1LTDSF
2-amino-4-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
Also Known As: CBKinase1_008533|CBKinase1_020933|AM-807/12426132|SR-01000283057-1|BRD-K68933095-001-01-0|2-amino-4-((2-(5-chlorothiophen-2-yl)-2-oxoethyl)thio)-6-(methylthio)pyrimidine-5-carbonitrile|2-amino-4-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile|2-amino-4-{[2-(5-chloro-2-thienyl)-2-oxoethyl]sulfanyl}-6-(methylsulfanyl)-5-pyrimidinecarbonitrile|2-amino-4-{[2-(5-chloro-2-thienyl)-2-oxoethyl]thio}-6-(methylthio)-5-pyrimidinecarbonitrile|2-amino-4-{[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl}-6-(methylsulfanyl)pyrimidine-5-carbonitrile
| Molecular Formula | C12H9ClN4OS3 |
|---|---|
| Molecular Weight | 355.9627 g/mol |
| LogP | 3.34228 |
| Topological Polar Surface Area | 92.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.9627 |
| Monoisotopic Mass | 355.9627 |
| Heavy Atoms | 21 |
| Complexity | 725.778 |
Chemical Identifiers
| CAS Number | 354552-98-0 |
|---|---|
| SMILES | CSC1=C(C(=NC(=N1)N)SCC(=O)C2=CC=C(S2)Cl)C#N |
Product Overview
AC1LTDSF (CAS 354552-98-0), with molecular formula C12H9ClN4OS3 and molecular weight 355.9627 g/mol. IUPAC: 2-amino-4-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile.