AC1NRNQR structure

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

CAS: 727666-86-6
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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