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175787-78-7 | 9H-Purine, 6-phenyl-9-(tetrahydro-2H-pyran-2-yl)-
CAS No: 175787-78-7 Catalog No: AG00216L MDL No:
Product Description
Catalog Number:
AG00216L
Chemical Name:
9H-Purine, 6-phenyl-9-(tetrahydro-2H-pyran-2-yl)-
CAS Number:
175787-78-7
Molecular Formula:
C16H16N4O
Molecular Weight:
280.3244
IUPAC Name:
9-(oxan-2-yl)-6-phenylpurine
InChI:
InChI=1S/C16H16N4O/c1-2-6-12(7-3-1)14-15-16(18-10-17-14)20(11-19-15)13-8-4-5-9-21-13/h1-3,6-7,10-11,13H,4-5,8-9H2
InChI Key:
GOLUFWOPAFOAJM-UHFFFAOYSA-N
SMILES:
C1CCC(OC1)n1cnc2c1ncnc2c1ccccc1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.132g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.331g/mol
Monoisotopic Mass:
280.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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