C1CC1N2C3=NC(=C(C=C3C(=O)N(C2=O)N)F)S(=O)(=S)O
Name: 3-amino-1-cyclopropyl-6-fluoro-7-hydroxysulfonothioylpyrido[2,3-d]pyrimidine-2,4-dione
SMILES: C1CC1N2C3=NC(=C(C=C3C(=O)N(C2=O)N)F)S(=O)(=S)O

Molecular Processing

Molecular formula
C10H9FN4O4S2
Molecular weight
332.34
Exact mass
332.0049
XLogP
-0.68
TPSA
120.21
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
75.04

Supplementary Information

InChIKey: IYMWYSOXLZRBDG-UHFFFAOYSA-N
Synonyme
SCHEMBL4517282SCHEMBL4517283IYMWYSOXLZRBDG-UHFFFAOYSA-N3-Amino-1-cyclopropyl-6-fluoro-2,4-dioxo-1,2,3,4-tetrahydro-pyrido[2,3-d]pyrimidine-7-thiosulfonic acid
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