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2873-24-7 | 4,7-Pteridinediamine, 6-(4-methoxyphenyl)-2-phenyl-
CAS No: 2873-24-7 Catalog No: AG002WA3 MDL No:
Product Description
Catalog Number:
AG002WA3
Chemical Name:
4,7-Pteridinediamine, 6-(4-methoxyphenyl)-2-phenyl-
CAS Number:
2873-24-7
Molecular Formula:
C19H16N6O
Molecular Weight:
344.3699
IUPAC Name:
6-(4-methoxyphenyl)-2-phenylpteridine-4,7-diamine
InChI:
InChI=1S/C19H16N6O/c1-26-13-9-7-11(8-10-13)14-16(20)24-19-15(22-14)17(21)23-18(25-19)12-5-3-2-4-6-12/h2-10H,1H3,(H4,20,21,23,24,25)
InChI Key:
JSNXONGKHWAZTJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc2c(N)nc(nc2nc1N)c1ccccc1
NSC Number:
50068
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.139g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.378g/mol
Monoisotopic Mass:
344.139g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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