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89454-46-6 | Methanesulfonamide, N-[2-methoxy-4-(1H-purin-8-yl)phenyl]-
CAS No: 89454-46-6 Catalog No: AG00433L MDL No:
Product Description
Catalog Number:
AG00433L
Chemical Name:
Methanesulfonamide, N-[2-methoxy-4-(1H-purin-8-yl)phenyl]-
CAS Number:
89454-46-6
Molecular Formula:
C13H13N5O3S
Molecular Weight:
319.3390
IUPAC Name:
N-[2-methoxy-4-(7H-purin-8-yl)phenyl]methanesulfonamide
InChI:
InChI=1S/C13H13N5O3S/c1-21-11-5-8(3-4-9(11)18-22(2,19)20)12-16-10-6-14-7-15-13(10)17-12/h3-7,18H,1-2H3,(H,14,15,16,17)
InChI Key:
JOMCHTZFGZENJJ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1NS(=O)(=O)C)c1nc2c(n1)c[nH]cn2
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.074g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.339g/mol
Monoisotopic Mass:
319.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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