AC1NRNQR
4,7-diamino-2-[(2-chlorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Also Known As: NCGC00285673-01|AB01285077-01|A3743/0158611|4,7-diamino-2-[(2-chlorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile|4,7-diamino-2-[(2-chlorobenzyl)sulfanyl]-5-(2-fluorophenyl)-5H-pyrano[2,3-d]pyrimidin-6-yl cyanide|4,7-diamino-2-[(2-chlorobenzyl)sulfanyl]-5-(2-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
| Molecular Formula | C21H15ClFN5OS |
|---|---|
| Molecular Weight | 439.067 g/mol |
| LogP | 4.36178 |
| Topological Polar Surface Area | 110.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.067 |
| Monoisotopic Mass | 439.067 |
| Heavy Atoms | 30 |
| Complexity | 1210.2413 |
Chemical Identifiers
| CAS Number | 727666-86-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NC(=C3C(C(=C(OC3=N2)N)C#N)C4=CC=CC=C4F)N)Cl |
Product Overview
AC1NRNQR (CAS 727666-86-6), with molecular formula C21H15ClFN5OS and molecular weight 439.067 g/mol. IUPAC: 4,7-diamino-2-[(2-chlorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile.
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