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19148-32-4 | 6-Pteridinecarbonitrile, 4,7-diamino-2-phenyl-
CAS No: 19148-32-4 Catalog No: AG002F9T MDL No:
Product Description
Catalog Number:
AG002F9T
Chemical Name:
6-Pteridinecarbonitrile, 4,7-diamino-2-phenyl-
CAS Number:
19148-32-4
Molecular Formula:
C13H9N7
Molecular Weight:
263.2575
IUPAC Name:
4,7-diamino-2-phenylpteridine-6-carbonitrile
InChI:
InChI=1S/C13H9N7/c14-6-8-10(15)18-13-9(17-8)11(16)19-12(20-13)7-4-2-1-3-5-7/h1-5H,(H4,15,16,18,19,20)
InChI Key:
HCKFMGUQQVLORQ-UHFFFAOYSA-N
SMILES:
N#Cc1nc2c(N)nc(nc2nc1N)c1ccccc1
NSC Number:
73557
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.092g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.264g/mol
Monoisotopic Mass:
263.092g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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