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1202402-40-1 | 7-(5-Methyl-2-furanyl)-3-[[6-[[[(3S)-tetrahydro-3-furanyl]oxy]methyl]-2-pyridinyl]methyl]-3H-1,2,3-triazolo[4,5-d]pyrimidin-5-amine
CAS No: 1202402-40-1 Catalog No: AG003AHO MDL No:
Product Description
Catalog Number:
AG003AHO
Chemical Name:
7-(5-Methyl-2-furanyl)-3-[[6-[[[(3S)-tetrahydro-3-furanyl]oxy]methyl]-2-pyridinyl]methyl]-3H-1,2,3-triazolo[4,5-d]pyrimidin-5-amine
CAS Number:
1202402-40-1
Molecular Formula:
C20H21N7O3
Molecular Weight:
407.4258
IUPAC Name:
7-(5-methylfuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]pyridin-2-yl]methyl]triazolo[4,5-d]pyrimidin-5-amine
InChI:
InChI=1S/C20H21N7O3/c1-12-5-6-16(30-12)17-18-19(24-20(21)23-17)27(26-25-18)9-13-3-2-4-14(22-13)10-29-15-7-8-28-11-15/h2-6,15H,7-11H2,1H3,(H2,21,23,24)/t15-/m0/s1
InChI Key:
KURQKNMKCGYWRJ-HNNXBMFYSA-N
SMILES:
Nc1nc(c2ccc(o2)C)c2c(n1)n(nn2)Cc1cccc(n1)CO[C@@H]1COCC1
UNII:
8KFO2187CP
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
407.171g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
407.434g/mol
Monoisotopic Mass:
407.171g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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