Chemical Components in the PDB

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CIG : Summary

Code

CIG

One-letter code

X

Molecule name

2-AMINO-6-CHLOROPYRAZINE

Systematic names

ProgramVersionName
ACDLabs 12.01 6-chloropyrazin-2-amine
OpenEye OEToolkits 1.7.6 6-chloranylpyrazin-2-amine

Formula

C4 H4 Cl N3

Formal charge

0

Molecular weight

129.548 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Clc1nc(N)cnc1
SMILES CACTVS 3.370 Nc1cncc(Cl)n1
SMILES OpenEye OEToolkits 1.7.6 c1c(nc(cn1)Cl)N
Canonical SMILES CACTVS 3.370 Nc1cncc(Cl)n1
Canonical SMILES OpenEye OEToolkits 1.7.6 c1c(nc(cn1)Cl)N

IUPAC InChI

InChI=1S/C4H4ClN3/c5-3-1-7-2-4(6)8-3/h1-2H,(H2,6,8)

IUPAC InChI key

JTPXVCKCLBROOJ-UHFFFAOYSA-N
CIG

wwPDB Information

Atom count

12 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-11-12

Last modified at

2014-05-16

Status

Released

Obsoleted

Not Assigned