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115008-06-5 | Pyrido[2,1-f]purine-2,4,6(1H,3H,7H)-trione, 8,9-dihydro-1,3,8,8-tetramethyl-
CAS No: 115008-06-5 Catalog No: AG000FL0 MDL No:
Product Description
Catalog Number:
AG000FL0
Chemical Name:
Pyrido[2,1-f]purine-2,4,6(1H,3H,7H)-trione, 8,9-dihydro-1,3,8,8-tetramethyl-
CAS Number:
115008-06-5
Molecular Formula:
C13H16N4O3
Molecular Weight:
276.2911
IUPAC Name:
1,3,8,8-tetramethyl-7,9-dihydropurino[7,8-a]pyridine-2,4,6-trione
InChI:
InChI=1S/C13H16N4O3/c1-13(2)5-7-14-10-9(17(7)8(18)6-13)11(19)16(4)12(20)15(10)3/h5-6H2,1-4H3
InChI Key:
PQJWOEZZONFDFI-UHFFFAOYSA-N
SMILES:
Cn1c(=O)n(C)c(=O)c2c1nc1n2C(=O)CC(C1)(C)C
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.296g/mol
Monoisotopic Mass:
276.122g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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