CC(C(=O)C)OC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N
الاسم: 3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenoxy]butan-2-one
SMILES: CC(C(=O)C)OC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N

Molecular Processing

Molecular formula
C17H22N4O4
Molecular weight
346.39
Exact mass
346.1641
XLogP
1.61
TPSA
122.58
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
93.98

Supplementary Information

InChIKey: JVIDFKFNVSTYMH-UHFFFAOYSA-N
مرادفات
SCHEMBL9829780JVIDFKFNVSTYMH-UHFFFAOYSA-N2,4-Diamino-5-(3,4-dimethoxy-5-(1-methyl-2-oxopropoxy)benzyl)pyrimidine2,4-diamino-5-(3,4-dimethoxy-5-(1-methyl-2oxopropoxy)benzyl)pyrimidine
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