الاسم: 5-Iodo-3-methyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)-1H-pyrrolo-[3,4-d]pyrimidine-2,4(3H,6H)-dione
SMILES:
CC(C)Cn1c(=O)n(C)c(=O)c2c(I)n(Cc3cccc4ccccc34)cc21Molecular Processing
Molecular formula
C22H22IN3O2
Molecular weight
487.34
Exact mass
487.0757
XLogP
3.96
TPSA
48.93
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
122.04
Supplementary Information
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