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122365-36-0 | 9H-Purin-6-amine, 9-(triphenylmethyl)-, 1-oxide
CAS No: 122365-36-0 Catalog No: AG001762 MDL No:
Product Description
Catalog Number:
AG001762
Chemical Name:
9H-Purin-6-amine, 9-(triphenylmethyl)-, 1-oxide
CAS Number:
122365-36-0
Molecular Formula:
C24H19N5O
Molecular Weight:
393.4406
IUPAC Name:
1-hydroxy-9-tritylpurin-6-imine
InChI:
InChI=1S/C24H19N5O/c25-22-21-23(27-17-29(22)30)28(16-26-21)24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,25,30H
InChI Key:
NGFRVOSYJJORAW-UHFFFAOYSA-N
SMILES:
[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
588
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.159g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
393.45g/mol
Monoisotopic Mass:
393.159g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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