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89454-51-3 | Methanesulfonamide, N-ethyl-N-[3-methoxy-4-(1H-purin-8-yl)phenyl]-
CAS No: 89454-51-3 Catalog No: AG00433K MDL No:
Product Description
Catalog Number:
AG00433K
Chemical Name:
Methanesulfonamide, N-ethyl-N-[3-methoxy-4-(1H-purin-8-yl)phenyl]-
CAS Number:
89454-51-3
Molecular Formula:
C15H17N5O3S
Molecular Weight:
347.3922
IUPAC Name:
N-ethyl-N-[3-methoxy-4-(7H-purin-8-yl)phenyl]methanesulfonamide
InChI:
InChI=1S/C15H17N5O3S/c1-4-20(24(3,21)22)10-5-6-11(13(7-10)23-2)14-18-12-8-16-9-17-15(12)19-14/h5-9H,4H2,1-3H3,(H,16,17,18,19)
InChI Key:
JNZRFPHZPREHLV-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1c1nc2c(n1)c[nH]cn2)N(S(=O)(=O)C)CC
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.105g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.393g/mol
Monoisotopic Mass:
347.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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