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1011-10-5

1011-10-5 | 4,7(3H,6H)-Pteridinedione, 2-amino-5,8-dihydro-

CAS No: 1011-10-5 Catalog No: AG0003R6 MDL No:

Product Description

Catalog Number:
AG0003R6
Chemical Name:
4,7(3H,6H)-Pteridinedione, 2-amino-5,8-dihydro-
CAS Number:
1011-10-5
Molecular Formula:
C6H7N5O2
Molecular Weight:
181.1521
IUPAC Name:
2-amino-3,5,6,8-tetrahydropteridine-4,7-dione
InChI:
InChI=1S/C6H7N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h8H,1H2,(H4,7,9,10,11,12,13)
InChI Key:
JOCAZCZIQTXMHW-UHFFFAOYSA-N
SMILES:
O=C1CNc2c(N1)nc([nH]c2=O)N

Properties

Complexity:
356  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.06g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
181.155g/mol
Monoisotopic Mass:
181.06g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9  

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