CC(C)(C)C(=O)NC1=CC2=C(N1)N=CN(C2=O)I
名称: N-(3-iodo-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2,2-dimethylpropanamide
SMILES: CC(C)(C)C(=O)NC1=CC2=C(N1)N=CN(C2=O)I

Molecular Processing

Molecular formula
C11H13IN4O2
Molecular weight
360.15
Exact mass
360.0083
XLogP
1.91
TPSA
79.78
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
77.86

Supplementary Information

InChIKey: RATWTGXAIQNGDA-UHFFFAOYSA-N
同義語
SCHEMBL9045607LYAJOBCZJSSHHT-UHFFFAOYSA-N3-iodo-4-hydroxy-6-pivaloylaminopyrrolo[2,3-d]pyrimidine
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