Name: 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5yl)ethyl]benzoic acid methyl ester
SMILES:
COC(=O)c1ccc(CCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1Molecular Processing
Molecular formula
C16H16N4O3
Molecular weight
312.33
Exact mass
312.1222
XLogP
1.41
TPSA
113.86
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
86.32
Supplementary Information
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Involved in 11 reactions→