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Home > Other Heterocycles > 1365170-02-0
1365170-02-0 | 1H-Pyrazolo[3,4-d]pyrimidine, 1-(1α,3α,5α)bicyclo[3.1.0]hex-3-yl-6-(methylthio)-
CAS No: 1365170-02-0 Catalog No: AG0011XB MDL No:MFCD23135351
Product Description
Catalog Number:
AG0011XB
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidine, 1-(1α,3α,5α)bicyclo[3.1.0]hex-3-yl-6-(methylthio)-
CAS Number:
1365170-02-0
Molecular Formula:
C12H14N4S
Molecular Weight:
246.3314
MDL Number:
MFCD23135351
IUPAC Name:
1-(3-bicyclo[3.1.0]hexanyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C12H14N4S/c1-17-12-13-5-9-6-14-16(11(9)15-12)10-3-7-2-8(7)4-10/h5-8,10H,2-4H2,1H3
InChI Key:
QVPBTCKEINOJIM-UHFFFAOYSA-N
SMILES:
CSc1ncc2c(n1)n(nc2)C1CC2C(C1)C2
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.094g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.332g/mol
Monoisotopic Mass:
246.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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