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131080-54-1 | 1H-Purine-2,6-dione, 8-(dicyclopropylmethyl)-3,9-dihydro-3-propyl-
CAS No: 131080-54-1 Catalog No: AG000VHT MDL No:
Product Description
Catalog Number:
AG000VHT
Chemical Name:
1H-Purine-2,6-dione, 8-(dicyclopropylmethyl)-3,9-dihydro-3-propyl-
CAS Number:
131080-54-1
Molecular Formula:
C15H20N4O2
Molecular Weight:
288.3449
IUPAC Name:
8-(dicyclopropylmethyl)-3-propyl-7H-purine-2,6-dione
InChI:
InChI=1S/C15H20N4O2/c1-2-7-19-13-11(14(20)18-15(19)21)16-12(17-13)10(8-3-4-8)9-5-6-9/h8-10H,2-7H2,1H3,(H,16,17)(H,18,20,21)
InChI Key:
AEWZPTKAJDLRTQ-UHFFFAOYSA-N
SMILES:
CCCn1c(=O)[nH]c(=O)c2c1[nH]c(n2)C(C1CC1)C1CC1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.159g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.351g/mol
Monoisotopic Mass:
288.159g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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