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441756-86-1 | Guanidine, N-cyano-N'-[3-methoxy-4-(5-oxazolyl)phenyl]-N''-3-pyridinyl-
CAS No: 441756-86-1 Catalog No: AG00729R MDL No:
Product Description
Catalog Number:
AG00729R
Chemical Name:
Guanidine, N-cyano-N'-[3-methoxy-4-(5-oxazolyl)phenyl]-N''-3-pyridinyl-
CAS Number:
441756-86-1
Molecular Formula:
C17H14N6O2
Molecular Weight:
334.3321
IUPAC Name:
1-cyano-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-3-ylguanidine
InChI:
InChI=1S/C17H14N6O2/c1-24-15-7-12(4-5-14(15)16-9-20-11-25-16)22-17(21-10-18)23-13-3-2-6-19-8-13/h2-9,11H,1H3,(H2,21,22,23)
InChI Key:
XBUMIYPTGRFOGA-UHFFFAOYSA-N
SMILES:
N#CNC(=Nc1cccnc1)Nc1ccc(c(c1)OC)c1cnco1
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.118g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.339g/mol
Monoisotopic Mass:
334.118g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Novel guanidine-based inhibitors of inosine monophosphate dehydrogenase. | Bioorganic & medicinal chemistry letters 20021021 |
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