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102284-71-9 | 1H-Purine-2,6-dione, 3,7-dihydro-7-(phenylmethyl)-1,3-dipropyl-
CAS No: 102284-71-9 Catalog No: AG00074C MDL No:
Product Description
Catalog Number:
AG00074C
Chemical Name:
1H-Purine-2,6-dione, 3,7-dihydro-7-(phenylmethyl)-1,3-dipropyl-
CAS Number:
102284-71-9
Molecular Formula:
C18H22N4O2
Molecular Weight:
326.3929
IUPAC Name:
7-benzyl-1,3-dipropylpurine-2,6-dione
InChI:
InChI=1S/C18H22N4O2/c1-3-10-21-16-15(17(23)22(11-4-2)18(21)24)20(13-19-16)12-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3
InChI Key:
VUCFOFXDFGNTRU-UHFFFAOYSA-N
SMILES:
CCCn1c(=O)n(CCC)c2c(c1=O)n(cn2)Cc1ccccc1
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.174g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.4g/mol
Monoisotopic Mass:
326.174g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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