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88236-68-4 | Isoxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, 3-amino-5,7-diethyl-
CAS No: 88236-68-4 Catalog No: AG004CWS MDL No:
Product Description
Catalog Number:
AG004CWS
Chemical Name:
Isoxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, 3-amino-5,7-diethyl-
CAS Number:
88236-68-4
Molecular Formula:
C9H12N4O3
Molecular Weight:
224.2166
IUPAC Name:
3-amino-5,7-diethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione
InChI:
InChI=1S/C9H12N4O3/c1-3-12-7-5(6(10)16-11-7)8(14)13(4-2)9(12)15/h3-4,10H2,1-2H3
InChI Key:
MEGJLMPZBMQQRA-UHFFFAOYSA-N
SMILES:
CCn1c(=O)c2c(N)onc2n(c1=O)CC
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.22g/mol
Monoisotopic Mass:
224.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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