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81587-29-3 | Imidazo[1,5-a]pyrimidine-2,4,6,8(3H,7H)-tetrone,1-acetyl-3,3-diethyldihydro-8a-methyl-
CAS No: 81587-29-3 Catalog No: AG005JS7 MDL No:
Product Description
Catalog Number:
AG005JS7
Chemical Name:
Imidazo[1,5-a]pyrimidine-2,4,6,8(3H,7H)-tetrone,1-acetyl-3,3-diethyldihydro-8a-methyl-
CAS Number:
81587-29-3
Molecular Formula:
C13H17N3O5
Molecular Weight:
295.2912
IUPAC Name:
1-acetyl-3,3-diethyl-8a-methylimidazo[1,5-a]pyrimidine-2,4,6,8-tetrone
InChI:
InChI=1S/C13H17N3O5/c1-5-13(6-2)9(19)15(7(3)17)12(4)8(18)14-11(21)16(12)10(13)20/h5-6H2,1-4H3,(H,14,18,21)
InChI Key:
XXSHHZOEBZURHS-UHFFFAOYSA-N
SMILES:
CCC1(CC)C(=O)N(C(=O)C)C2(N(C1=O)C(=O)NC2=O)C
NSC Number:
360518
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.117g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.295g/mol
Monoisotopic Mass:
295.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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