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84176-65-8 | 6,7-Diisopropylpteridine-2,4-diamine phosphate
CAS No: 84176-65-8 Catalog No: AG003N16 MDL No:
Product Description
Catalog Number:
AG003N16
Chemical Name:
6,7-Diisopropylpteridine-2,4-diamine phosphate
CAS Number:
84176-65-8
Molecular Formula:
C12H21N6O4P
Molecular Weight:
344.3067
IUPAC Name:
6,7-di(propan-2-yl)pteridine-2,4-diamine;phosphoric acid
InChI:
InChI=1S/C12H18N6.H3O4P/c1-5(2)7-8(6(3)4)16-11-9(15-7)10(13)17-12(14)18-11;1-5(2,3)4/h5-6H,1-4H3,(H4,13,14,16,17,18);(H3,1,2,3,4)
InChI Key:
YNQBQYASRYRNRY-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.Nc1nc2nc(C(C)C)c(nc2c(n1)N)C(C)C
EC Number:
282-331-2
NSC Number:
98771
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.136g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
344.312g/mol
Monoisotopic Mass:
344.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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