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682337-74-2 | 1H-Purine-2,8-diamine, N,N'-bis(3-ethylphenyl)-6-(4-morpholinyl)-
CAS No: 682337-74-2 Catalog No: AG005LOR MDL No:
Product Description
Catalog Number:
AG005LOR
Chemical Name:
1H-Purine-2,8-diamine, N,N'-bis(3-ethylphenyl)-6-(4-morpholinyl)-
CAS Number:
682337-74-2
Molecular Formula:
C25H29N7O
Molecular Weight:
443.5441
IUPAC Name:
2-N,8-N-bis(3-ethylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine
InChI:
InChI=1S/C25H29N7O/c1-3-17-7-5-9-19(15-17)26-24-28-21-22(29-24)30-25(27-20-10-6-8-18(4-2)16-20)31-23(21)32-11-13-33-14-12-32/h5-10,15-16H,3-4,11-14H2,1-2H3,(H3,26,27,28,29,30,31)
InChI Key:
LYFJXNJDZLKLTA-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1)Nc1nc2nc(nc2c([nH]1)N1CCOCC1)Nc1cccc(c1)CC
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.243g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
443.555g/mol
Monoisotopic Mass:
443.243g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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