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65911-29-7 | 6H-Purin-6-one, 8-(4-thiazolyl)-, oxime
CAS No: 65911-29-7 Catalog No: AG006MI6 MDL No:
Product Description
Catalog Number:
AG006MI6
Chemical Name:
6H-Purin-6-one, 8-(4-thiazolyl)-, oxime
CAS Number:
65911-29-7
Molecular Formula:
C8H4N6OS
Molecular Weight:
232.2220
IUPAC Name:
4-(6-nitroso-7H-purin-8-yl)-1,3-thiazole
InChI:
InChI=1S/C8H4N6OS/c15-14-8-5-7(9-2-10-8)13-6(12-5)4-1-16-3-11-4/h1-3H,(H,9,10,12,13)
InChI Key:
SDQSEOMTKOPFBQ-UHFFFAOYSA-N
SMILES:
ON=C1N=CN=C2C1=NC(=N2)c1cscn1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.017g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.221g/mol
Monoisotopic Mass:
232.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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