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89018-73-5 | 3H-Purin-6-amine, N-methoxy-3-methyl-
CAS No: 89018-73-5 Catalog No: AG0044DH MDL No:
Product Description
Catalog Number:
AG0044DH
Chemical Name:
3H-Purin-6-amine, N-methoxy-3-methyl-
CAS Number:
89018-73-5
Molecular Formula:
C7H9N5O
Molecular Weight:
179.1793
IUPAC Name:
N-methoxy-3-methyl-7H-purin-6-imine
InChI:
InChI=1S/C7H9N5O/c1-12-4-10-6(11-13-2)5-7(12)9-3-8-5/h3-4H,1-2H3,(H,8,9)
InChI Key:
HOYWCYKNFDTUGC-UHFFFAOYSA-N
SMILES:
CONc1ncn(c2c1ncn2)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.081g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.183g/mol
Monoisotopic Mass:
179.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.3
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