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791584-51-5 | 9H-PURINE-2,6-DIAMINE, N2,N6-BIS(4-METHOXYPHENYL)-
CAS No: 791584-51-5 Catalog No: AG0053G1 MDL No:
Product Description
Catalog Number:
AG0053G1
Chemical Name:
9H-PURINE-2,6-DIAMINE, N2,N6-BIS(4-METHOXYPHENYL)-
CAS Number:
791584-51-5
Molecular Formula:
C19H18N6O2
Molecular Weight:
362.3852
IUPAC Name:
2-N,6-N-bis(4-methoxyphenyl)-7H-purine-2,6-diamine
InChI:
InChI=1S/C19H18N6O2/c1-26-14-7-3-12(4-8-14)22-18-16-17(21-11-20-16)24-19(25-18)23-13-5-9-15(27-2)10-6-13/h3-11H,1-2H3,(H3,20,21,22,23,24,25)
InChI Key:
LMJOYWNCVBCMDV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Nc1nc(Nc2ccc(cc2)OC)c2c(n1)[nH]cn2
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.149g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
362.393g/mol
Monoisotopic Mass:
362.149g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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