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19172-94-2 | 4,7-Pteridinediamine, 2-(methylthio)-6-phenyl-
CAS No: 19172-94-2 Catalog No: AG002FFR MDL No:
Product Description
Catalog Number:
AG002FFR
Chemical Name:
4,7-Pteridinediamine, 2-(methylthio)-6-phenyl-
CAS Number:
19172-94-2
Molecular Formula:
C13H12N6S
Molecular Weight:
284.3396
IUPAC Name:
2-methylsulfanyl-6-phenylpteridine-4,7-diamine
InChI:
InChI=1S/C13H12N6S/c1-20-13-18-11(15)9-12(19-13)17-10(14)8(16-9)7-5-3-2-4-6-7/h2-6H,1H3,(H4,14,15,17,18,19)
InChI Key:
LFHJVTNMAOVQHQ-UHFFFAOYSA-N
SMILES:
CSc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N
NSC Number:
82552
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.341g/mol
Monoisotopic Mass:
284.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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