Chemical Components in the PDB

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OYK : Summary

Code

OYK

One-letter code

X

Molecule name

~{N},9-dimethylpurin-6-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N},9-dimethylpurin-6-amine

Formula

C7 H9 N5

Formal charge

0

Molecular weight

163.18 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CNc1ncnc2n(C)cnc12
SMILES OpenEye OEToolkits 2.0.7 CNc1c2c(ncn1)n(cn2)C
Canonical SMILES CACTVS 3.385 CNc1ncnc2n(C)cnc12
Canonical SMILES OpenEye OEToolkits 2.0.7 CNc1c2c(ncn1)n(cn2)C

IUPAC InChI

InChI=1S/C7H9N5/c1-8-6-5-7(10-3-9-6)12(2)4-11-5/h3-4H,1-2H3,(H,8,9,10)

IUPAC InChI key

GRDLXXJSRHDATN-UHFFFAOYSA-N
OYK

wwPDB Information

Atom count

21 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-04-08

Last modified at

2021-04-09

Status

Released

Obsoleted

Not Assigned