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HHN : Summary

Code

HHN

One-letter code

X

Molecule name

5-bromanylpyrimidine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 5-bromanylpyrimidine

Formula

C4 H3 Br N2

Formal charge

0

Molecular weight

158.984 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Brc1cncnc1
SMILES OpenEye OEToolkits 2.0.6 c1c(cncn1)Br
Canonical SMILES CACTVS 3.385 Brc1cncnc1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1c(cncn1)Br

IUPAC InChI

InChI=1S/C4H3BrN2/c5-4-1-6-3-7-2-4/h1-3H

IUPAC InChI key

GYCPLYCTMDTEPU-UHFFFAOYSA-N
HHN

wwPDB Information

Atom count

10 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-12-06

Last modified at

2019-03-15

Status

Released

Obsoleted

Not Assigned