CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCP(=O)(OCC)OCC
Nom: 7-butyl-1-(5-diethoxyphosphorylpentyl)-3-methylpurine-2,6-dione
SMILES: CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCP(=O)(OCC)OCC

Molecular Processing

Molecular formula
C19H33N4O5P
Molecular weight
428.47
Exact mass
428.2189
XLogP
3.13
TPSA
97.35
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
13
Heavy atoms
29
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
0.737
Molar refractivity
113.72

Supplementary Information

InChIKey: CEYCRFWKOOSYLF-UHFFFAOYSA-N
Synonymes
SCHEMBL7465863CEYCRFWKOOSYLF-UHFFFAOYSA-NDiethyl [5-(7-butyl-3-methylxanthin-1-yl)pentyl]phosphonate
Voir la source →
Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→