Chemical Components in the PDB

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5QT : Summary

Code

5QT

One-letter code

X

Molecule name

2,2-dimethylpropyl 2-[(3-oxidanylidene-5-sulfanylidene-2~{H}-1,2,4-triazin-6-yl)amino]ethanoate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 2,2-dimethylpropyl 2-[(3-oxidanylidene-5-sulfanylidene-2~{H}-1,2,4-triazin-6-yl)amino]ethanoate

Formula

C10 H16 N4 O3 S

Formal charge

0

Molecular weight

272.324 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(C)(C)COC(=O)CNC1=NNC(=O)NC1=S
SMILES OpenEye OEToolkits 2.0.4 CC(C)(C)COC(=O)CNC1=NNC(=O)NC1=S
Canonical SMILES CACTVS 3.385 CC(C)(C)COC(=O)CNC1=NNC(=O)NC1=S
Canonical SMILES OpenEye OEToolkits 2.0.4 CC(C)(C)COC(=O)CNC1=NNC(=O)NC1=S

IUPAC InChI

InChI=1S/C10H16N4O3S/c1-10(2,3)5-17-6(15)4-11-7-8(18)12-9(16)14-13-7/h4-5H2,1-3H3,(H,11,13)(H2,12,14,16,18)

IUPAC InChI key

REFYLRHEWINELP-UHFFFAOYSA-N
5QT

wwPDB Information

Atom count

34 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-11-11

Last modified at

2020-06-27

Status

Released

Obsoleted

Not Assigned