Chemical Components in the PDB

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SWD : Summary

Code

SWD

One-letter code

X

Molecule name

4-chloranylthieno[3,2-d]pyrimidine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 4-chloranylthieno[3,2-d]pyrimidine

Formula

C6 H3 Cl N2 S

Formal charge

0

Molecular weight

170.619 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Clc1ncnc2ccsc12
SMILES OpenEye OEToolkits 2.0.6 c1csc2c1ncnc2Cl
Canonical SMILES CACTVS 3.385 Clc1ncnc2ccsc12
Canonical SMILES OpenEye OEToolkits 2.0.6 c1csc2c1ncnc2Cl

IUPAC InChI

InChI=1S/C6H3ClN2S/c7-6-5-4(1-2-10-5)8-3-9-6/h1-3H

IUPAC InChI key

TWTODSLDHCDLDR-UHFFFAOYSA-N
SWD

wwPDB Information

Atom count

13 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-03-11

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned