SMILES:
CC(Nc1nc(N)nc(N)c1C#N)c1nc2ccn(C)c2cc1N1CC(O)C1Molecular Processing
Molecular formula
C18H21N9O
Molecular weight
379.43
Exact mass
379.1869
XLogP
0.75
TPSA
154.93
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
106.54
Supplementary Information
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