CCOP(=O)(COCCOn1cnc2c(Cl)nc(NC=O)nc21)OCC
Name: N-[6-chloro-9-[2-(diethoxyphosphorylmethoxy)ethoxy]purin-2-yl]formamide
SMILES: CCOP(=O)(COCCOn1cnc2c(Cl)nc(NC=O)nc21)OCC

Molecular Processing

Molecular formula
C13H19ClN5O6P
Molecular weight
407.75
Exact mass
407.0761
XLogP
1.72
TPSA
126.69
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
93.14

Supplementary Information

InChIKey: NMOOKZGLLMTCKR-UHFFFAOYSA-N
Synonyme
SCHEMBL9417258NMOOKZGLLMTCKR-UHFFFAOYSA-N6-Chloro-9-[2-(diethoxyphosphorylmethoxy)ethoxy]-2-formamidopurine
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