N-(4-fluorophenyl)-1,2,3,4-tetrahydro-6-hydroxy-4-oxo-2-thioxo-5-pyrimidinecarboxamide

HCID 20223045
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Basic information

Standard SMILES
O=C(Nc1ccc(F)cc1)c1c(O)[nH]c(=S)[nH]c1=O
InChIKey
UKGRGRZTNHOIGU-UHFFFAOYSA-N
Molecular formula
C11H8FN3O3S
Average molar mass
281.27 g/mol

Names & identifiers

Preferred name
N-(4-fluorophenyl)-1,2,3,4-tetrahydro-6-hydroxy-4-oxo-2-thioxo-5-pyrimidinecarboxamide
IUPAC
N-(4-fluorophenyl)-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide

Names & synonyms

SCHEMBL10787661UKGRGRZTNHOIGU-UHFFFAOYSA-NN-(4-fluorophenyl)-1,2,3,4-tetrahydro-6-hydroxy-4-oxo-2-thioxo-5-pyrimidinecarboxamide

Database identifiers

PubChem CID
20223045

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
123 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
19

Related reactions

1 records
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Compound notes

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