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121875-97-6 | 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-7-(2-propen-1-yl)-3-propyl-
CAS No: 121875-97-6 Catalog No: AG00166V MDL No:
Product Description
Catalog Number:
AG00166V
Chemical Name:
1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-7-(2-propen-1-yl)-3-propyl-
CAS Number:
121875-97-6
Molecular Formula:
C12H16N4O2
Molecular Weight:
248.2810
IUPAC Name:
1-methyl-7-prop-2-enyl-3-propylpurine-2,6-dione
InChI:
InChI=1S/C12H16N4O2/c1-4-6-15-8-13-10-9(15)11(17)14(3)12(18)16(10)7-5-2/h4,8H,1,5-7H2,2-3H3
InChI Key:
IKFVHDFFKFNFKJ-UHFFFAOYSA-N
SMILES:
CCCn1c(=O)n(C)c(=O)c2c1ncn2CC=C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.127g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.286g/mol
Monoisotopic Mass:
248.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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