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13233-85-7 | 9H-Purin-6-amine, N,N-dimethyl-9-[(4-nitrophenyl)methyl]-
CAS No: 13233-85-7 Catalog No: AG0010K9 MDL No:
Product Description
Catalog Number:
AG0010K9
Chemical Name:
9H-Purin-6-amine, N,N-dimethyl-9-[(4-nitrophenyl)methyl]-
CAS Number:
13233-85-7
Molecular Formula:
C14H14N6O2
Molecular Weight:
298.3000
IUPAC Name:
N,N-dimethyl-9-[(4-nitrophenyl)methyl]purin-6-amine
InChI:
InChI=1S/C14H14N6O2/c1-18(2)13-12-14(16-8-15-13)19(9-17-12)7-10-3-5-11(6-4-10)20(21)22/h3-6,8-9H,7H2,1-2H3
InChI Key:
JVMODBRXTBWHGI-UHFFFAOYSA-N
SMILES:
CN(c1ncnc2c1ncn2Cc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.118g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.306g/mol
Monoisotopic Mass:
298.118g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| 9-Benzyl-6-(dimethylamino)-9H-purines with antirhinovirus activity. | Journal of medicinal chemistry 19881001 |
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