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Q9P : Summary

Code

Q9P

One-letter code

X

Molecule name

Azolopyrimidine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 5-chloranyl-6-(phenylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol

Formula

C12 H9 Cl N4 O

Formal charge

0

Molecular weight

260.679 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Oc1n2ncnc2nc(Cl)c1Cc3ccccc3
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)Cc2c(nc3ncnn3c2O)Cl
Canonical SMILES CACTVS 3.385 Oc1n2ncnc2nc(Cl)c1Cc3ccccc3
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)Cc2c(nc3ncnn3c2O)Cl

IUPAC InChI

InChI=1S/C12H9ClN4O/c13-10-9(6-8-4-2-1-3-5-8)11(18)17-12(16-10)14-7-15-17/h1-5,7,18H,6H2

IUPAC InChI key

AFMPXANNRQOFLA-UHFFFAOYSA-N
Q9P

wwPDB Information

Atom count

27 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-12-24

Last modified at

2017-07-14

Status

Released

Obsoleted

Not Assigned