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115779-20-9 | 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-
CAS No: 115779-20-9 Catalog No: AG000GUO MDL No:
Product Description
Catalog Number:
AG000GUO
Chemical Name:
1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-
CAS Number:
115779-20-9
Molecular Formula:
C10H10N6O3
Molecular Weight:
262.2248
IUPAC Name:
3-methyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]purine-2,6-dione
InChI:
InChI=1S/C10H10N6O3/c1-5-12-6(14-19-5)3-16-4-11-8-7(16)9(17)13-10(18)15(8)2/h4H,3H2,1-2H3,(H,13,17,18)
InChI Key:
RYQVRAILJXPCMZ-UHFFFAOYSA-N
SMILES:
Cc1onc(n1)Cn1cnc2c1c(=O)[nH]c(=O)n2C
UNII:
P1NV6F2IIV
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.081g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.229g/mol
Monoisotopic Mass:
262.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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