Name: 2-[2-(5-Methyl-4-imidazolylmethylthio)ethylamino]-5-(6-methoxy-3-pyridylmethyl)-4-pyrimidone
SMILES:
COc1ccc(Cc2cnc(NCCSCc3nc[nH]c3C)[nH]c2=O)cn1Molecular Processing
Molecular formula
C18H22N6O2S
Molecular weight
386.48
Exact mass
386.1525
XLogP
2.14
TPSA
108.58
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
106.43
Supplementary Information
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