Chemical Components in the PDB

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XZ6 : Summary

Code

XZ6

One-letter code

X

Molecule name

7-(hydroxymethyl)-3-methyl-6~{H}-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 7-(hydroxymethyl)-3-methyl-6~{H}-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Formula

C8 H9 N2 O2 S

Formal charge

0

Molecular weight

197.234 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1csc2N=C(CO)CC(=O)[n]12
SMILES OpenEye OEToolkits 2.0.7 CC1=CSC2=[N]1C(=O)CC(=N2)CO
Canonical SMILES CACTVS 3.385 Cc1csc2N=C(CO)CC(=O)[n]12
Canonical SMILES OpenEye OEToolkits 2.0.7 CC1=CSC2=[N]1C(=O)CC(=N2)CO

IUPAC InChI

InChI=1S/C8H9N2O2S/c1-5-4-13-8-9-6(3-11)2-7(12)10(5)8/h4,11H,2-3H2,1H3

IUPAC InChI key

SALJLBCFMZAZLL-UHFFFAOYSA-N
XZ6

wwPDB Information

Atom count

22 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-11-14

Last modified at

2024-02-09

Status

Released

Obsoleted

Not Assigned