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102284-70-8 | 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-7-(2-propyn-1-yl)-
CAS No: 102284-70-8 Catalog No: AG00074D MDL No:MFCD19440779
Product Description
Catalog Number:
AG00074D
Chemical Name:
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-7-(2-propyn-1-yl)-
CAS Number:
102284-70-8
Molecular Formula:
C14H18N4O2
Molecular Weight:
274.3183
MDL Number:
MFCD19440779
IUPAC Name:
1,3-dipropyl-7-prop-2-ynylpurine-2,6-dione
InChI:
InChI=1S/C14H18N4O2/c1-4-7-16-10-15-12-11(16)13(19)18(9-6-3)14(20)17(12)8-5-2/h1,10H,5-9H2,2-3H3
InChI Key:
ZJNGTKZTSFZGPQ-UHFFFAOYSA-N
SMILES:
C#CCn1cnc2c1c(=O)n(CCC)c(=O)n2CCC
UNII:
0PX75FMH1H
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.143g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.324g/mol
Monoisotopic Mass:
274.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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