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14443-33-5 | 6H-Purin-6-one, 2-amino-1,9-dihydro-9-phenyl-
CAS No: 14443-33-5 Catalog No: AG001JIT MDL No:
Product Description
Catalog Number:
AG001JIT
Chemical Name:
6H-Purin-6-one, 2-amino-1,9-dihydro-9-phenyl-
CAS Number:
14443-33-5
Molecular Formula:
C11H9N5O
Molecular Weight:
227.2221
IUPAC Name:
2-amino-9-phenyl-1H-purin-6-one
InChI:
InChI=1S/C11H9N5O/c12-11-14-9-8(10(17)15-11)13-6-16(9)7-4-2-1-3-5-7/h1-6H,(H3,12,14,15,17)
InChI Key:
XOVSLVYAFGLDMS-UHFFFAOYSA-N
SMILES:
Nc1[nH]c(=O)c2c(n1)n(cn2)c1ccccc1
UNII:
JOM4H84L8J
NSC Number:
26289
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.081g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.227g/mol
Monoisotopic Mass:
227.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Alkylpurines as immunopotentiating agents. Synthesis and antiviral activity of certain alkylguanines. | Journal of medicinal chemistry 19931029 |
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