Chemical Components in the PDB

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8WT : Summary

Code

8WT

One-letter code

X

Molecule name

8-methylsulfanyl-7~{H}-purin-6-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 8-methylsulfanyl-7~{H}-purin-6-amine

Formula

C6 H7 N5 S

Formal charge

0

Molecular weight

181.218 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CSc1[nH]c2c(N)ncnc2n1
SMILES OpenEye OEToolkits 2.0.6 CSc1[nH]c2c(ncnc2n1)N
Canonical SMILES CACTVS 3.385 CSc1[nH]c2c(N)ncnc2n1
Canonical SMILES OpenEye OEToolkits 2.0.6 CSc1[nH]c2c(ncnc2n1)N

IUPAC InChI

InChI=1S/C6H7N5S/c1-12-6-10-3-4(7)8-2-9-5(3)11-6/h2H,1H3,(H3,7,8,9,10,11)

IUPAC InChI key

FEVUWFPPXQJXFN-UHFFFAOYSA-N
8WT

wwPDB Information

Atom count

19 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-03-20

Last modified at

2017-09-29

Status

Released

Obsoleted

Not Assigned