CCOP(=O)(CCCCCN1C(=O)C2=C(N=CN2)N(C1=O)C)OCC
Nom: 1-(5-diethoxyphosphorylpentyl)-3-methyl-7H-purine-2,6-dione
SMILES: CCOP(=O)(CCCCCN1C(=O)C2=C(N=CN2)N(C1=O)C)OCC

Molecular Processing

Molecular formula
C15H25N4O5P
Molecular weight
372.36
Exact mass
372.1563
XLogP
1.86
TPSA
108.21
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
95.17

Supplementary Information

InChIKey: KKCHJSLNCHIFNI-UHFFFAOYSA-N
Synonymes
SCHEMBL7465188KKCHJSLNCHIFNI-UHFFFAOYSA-Ndiethyl [5-(3-methyl-xanthin-1-yl)pentyl]phosphonate
Voir la source →
Impliqué dans 4 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→