Chemical Components in the PDB

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9XZ : Summary

Code

9XZ

One-letter code

X

Molecule name

3-(2-methyltetrazol-5-yl)-5-(3-thienyl)pyridin-2-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 3-(2-methyl-1,2,3,4-tetrazol-5-yl)-5-thiophen-3-yl-pyridin-2-amine

Formula

C11 H10 N6 S

Formal charge

0

Molecular weight

258.302 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cn1nnc(n1)c2cc(cnc2N)c3cscc3
SMILES OpenEye OEToolkits 1.7.6 Cn1nc(nn1)c2cc(cnc2N)c3ccsc3
Canonical SMILES CACTVS 3.385 Cn1nnc(n1)c2cc(cnc2N)c3cscc3
Canonical SMILES OpenEye OEToolkits 1.7.6 Cn1nc(nn1)c2cc(cnc2N)c3ccsc3

IUPAC InChI

InChI=1S/C11H10N6S/c1-17-15-11(14-16-17)9-4-8(5-13-10(9)12)7-2-3-18-6-7/h2-6H,1H3,(H2,12,13)

IUPAC InChI key

SYTWVNLAKXLKOD-UHFFFAOYSA-N
9XZ

wwPDB Information

Atom count

28 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-03-08

Last modified at

2015-05-08

Status

Released

Obsoleted

Not Assigned