C1CC1CN2C3=C(C(=O)N(C2=O)CC4CC4)NC(=N3)Cl
Название: 8-chloro-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione
SMILES: C1CC1CN2C3=C(C(=O)N(C2=O)CC4CC4)NC(=N3)Cl

Molecular Processing

Molecular formula
C13H15ClN4O2
Molecular weight
294.74
Exact mass
294.0884
XLogP
1.36
TPSA
72.68
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
75.07

Supplementary Information

InChIKey: QZMLAWVVWTZRLF-UHFFFAOYSA-N
Синонимы
SCHEMBL7026234QZMLAWVVWTZRLF-UHFFFAOYSA-N1,3-di-cyclopropylmethyl-8-chloroxanthine1,3-Di-cyclopropylmethyl-8-chloro Xanthine1,3-di-cyclopropylmethyl-8-chloro-xanthine1,3-di-cyclo-propylmethyl-8-chloro xanthine
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