CC1=NC2=C(C(=N1)Cl)N=CN2C3CCCCO3
Название: 6-chloro-2-methyl-9-(oxan-2-yl)purine
SMILES: CC1=NC2=C(C(=N1)Cl)N=CN2C3CCCCO3

Molecular Processing

Molecular formula
C11H13ClN4O
Molecular weight
252.7
Exact mass
252.0778
XLogP
2.49
TPSA
52.83
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
63.91

Supplementary Information

InChIKey: SGVQCLQGWDCDKO-UHFFFAOYSA-N
Синонимы
6-chloro-2-methyl-9-(tetrahydro-2H-pyran-2-yl)-9H-purineSCHEMBL112713SGVQCLQGWDCDKO-UHFFFAOYSA-N
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