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U5Z : Summary

Code

U5Z

One-letter code

X

Molecule name

1-[(4-fluorophenyl)amino]thiourea

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 1-[(4-fluorophenyl)amino]thiourea

Formula

C7 H8 F N3 S

Formal charge

0

Molecular weight

185.222 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC(=S)NNc1ccc(F)cc1
SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1NNC(=S)N)F
Canonical SMILES CACTVS 3.385 NC(=S)NNc1ccc(F)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1NNC(=S)N)F

IUPAC InChI

InChI=1S/C7H8FN3S/c8-5-1-3-6(4-2-5)10-11-7(9)12/h1-4,10H,(H3,9,11,12)

IUPAC InChI key

KQNHAXWTVPXGMP-UHFFFAOYSA-N
U5Z

wwPDB Information

Atom count

20 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-01-25

Last modified at

2022-02-25

Status

Released

Obsoleted

Not Assigned