Nc1nc(-c2ccco2)c2cnn(CC(=O)O)c2n1
Name: 2-[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid
SMILES: Nc1nc(-c2ccco2)c2cnn(CC(=O)O)c2n1

Molecular Processing

Molecular formula
C11H9N5O3
Molecular weight
259.22
Exact mass
259.0705
XLogP
0.75
TPSA
120.06
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
65.07

Supplementary Information

InChIKey: RUQZSDOIVVBCAG-UHFFFAOYSA-N
Synonyme
SCHEMBL4452578RUQZSDOIVVBCAG-UHFFFAOYSA-N6-Amino-4-(2-furyl)-1H-pyrazolo[3,4-d]pyrimidin-1-ylacetic acid
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