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165611-02-9 | 3-Carbamido-5-(methylthiomethyl)-7-phenylisoxazolo(4,5-d)pyrimidine
CAS No: 165611-02-9 Catalog No: AG00AWJS MDL No:
Product Description
Catalog Number:
AG00AWJS
Chemical Name:
3-Carbamido-5-(methylthiomethyl)-7-phenylisoxazolo(4,5-d)pyrimidine
CAS Number:
165611-02-9
IUPAC Name:
5-(methylsulfanylmethyl)-7-phenyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxamide
InChI:
InChI=1S/C14H12N4O2S/c1-21-7-9-16-10(8-5-3-2-4-6-8)13-11(17-9)12(14(15)19)18-20-13/h2-6H,7H2,1H3,(H2,15,19)
InChI Key:
AFUHCNSFLIYTIS-UHFFFAOYSA-N
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.068g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.336g/mol
Monoisotopic Mass:
300.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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