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199170-72-4 | 9H-Purine, 6-(2-methoxyethyl)-9-(phenylmethyl)-
CAS No: 199170-72-4 Catalog No: AG002BY6 MDL No:
Product Description
Catalog Number:
AG002BY6
Chemical Name:
9H-Purine, 6-(2-methoxyethyl)-9-(phenylmethyl)-
CAS Number:
199170-72-4
Molecular Formula:
C15H16N4O
Molecular Weight:
268.3137
IUPAC Name:
9-benzyl-6-(2-methoxyethyl)purine
InChI:
InChI=1S/C15H16N4O/c1-20-8-7-13-14-15(17-10-16-13)19(11-18-14)9-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3
InChI Key:
AUBOLPZJIWIHJU-UHFFFAOYSA-N
SMILES:
COCCc1ncnc2c1ncn2Cc1ccccc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.32g/mol
Monoisotopic Mass:
268.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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