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1668-45-7 | 6-Pteridinecarboxamide, 4,7-diamino-
CAS No: 1668-45-7 Catalog No: AG001WYM MDL No:
Product Description
Catalog Number:
AG001WYM
Chemical Name:
6-Pteridinecarboxamide, 4,7-diamino-
CAS Number:
1668-45-7
Molecular Formula:
C7H7N7O
Molecular Weight:
205.1768
IUPAC Name:
4,7-diaminopteridine-6-carboxamide
InChI:
InChI=1S/C7H7N7O/c8-4-3-7(12-1-11-4)14-5(9)2(13-3)6(10)15/h1H,(H2,10,15)(H4,8,9,11,12,14)
InChI Key:
BSAXDBIWIIFMON-UHFFFAOYSA-N
SMILES:
NC(=O)c1nc2c(N)ncnc2nc1N
NSC Number:
50063
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
205.181g/mol
Monoisotopic Mass:
205.071g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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