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89454-48-8 | Methanesulfonamide, N-[2-methoxy-4-(1H-purin-8-yl)phenyl]-N-methyl-
CAS No: 89454-48-8 Catalog No: AG008883 MDL No:
Product Description
Catalog Number:
AG008883
Chemical Name:
Methanesulfonamide, N-[2-methoxy-4-(1H-purin-8-yl)phenyl]-N-methyl-
CAS Number:
89454-48-8
Molecular Formula:
C14H15N5O3S
Molecular Weight:
333.3656
IUPAC Name:
N-[2-methoxy-4-(7H-purin-8-yl)phenyl]-N-methylmethanesulfonamide
InChI:
InChI=1S/C14H15N5O3S/c1-19(23(3,20)21)11-5-4-9(6-12(11)22-2)13-17-10-7-15-8-16-14(10)18-13/h4-8H,1-3H3,(H,15,16,17,18)
InChI Key:
ACZBSQAXBJPVKN-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1N(S(=O)(=O)C)C)c1nc2c(n1)c[nH]cn2
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.09g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.366g/mol
Monoisotopic Mass:
333.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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