6-((3-chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 41
Total Number of Articles : 30
PubChem 456214
Molecular Formula

C19H25ClN6O

SMILES

CC(C)[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1

synonyms
  • purvalanol A
  • 212844-53-6
  • Purv
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Properties
Property Value
MW 388.9 g/mol
HBD 3
HBA 6
Rotatable Bond Count 7
Exact Mass 388.1778371 g/mol
Monoisotopic Mass 388.1778371 g/mol
Heavy Atom Count 27
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 468
xlogp 4.3
Topological Polar Surface Area 87.9