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101622-51-9 | Ethanol, 2-[[9-methyl-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-
CAS No: 101622-51-9 Catalog No: AG0004Z8 MDL No:MFCD00189360
Product Description
Catalog Number:
AG0004Z8
Chemical Name:
Ethanol, 2-[[9-methyl-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-
CAS Number:
101622-51-9
Molecular Formula:
C15H18N6O
Molecular Weight:
298.3430
MDL Number:
MFCD00189360
IUPAC Name:
2-[[6-(benzylamino)-9-methylpurin-2-yl]amino]ethanol
InChI:
InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
InChI Key:
GTVPOLSIJWJJNY-UHFFFAOYSA-N
SMILES:
OCCNc1nc(NCc2ccccc2)c2c(n1)n(C)cn2
UNII:
6A839B2HYS
NSC Number:
666096
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.154g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
298.35g/mol
Monoisotopic Mass:
298.154g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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