Chemical Components in the PDB

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UO8 : Summary

Code

UO8

One-letter code

X

Molecule name

2-azanyl-9-cyclohexyl-3~{H}-purine-6-thione

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-azanyl-9-cyclohexyl-3~{H}-purine-6-thione

Formula

C11 H15 N5 S

Formal charge

0

Molecular weight

249.335 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC1=NC(=S)c2ncn(C3CCCCC3)c2N1
SMILES OpenEye OEToolkits 2.0.7 c1nc2c(n1C3CCCCC3)NC(=NC2=S)N
Canonical SMILES CACTVS 3.385 NC1=NC(=S)c2ncn(C3CCCCC3)c2N1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1nc2c(n1C3CCCCC3)NC(=NC2=S)N

IUPAC InChI

InChI=1S/C11H15N5S/c12-11-14-9-8(10(17)15-11)13-6-16(9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,12,14,15,17)

IUPAC InChI key

PKVXHQDYPCXSAD-UHFFFAOYSA-N
UO8

wwPDB Information

Atom count

32 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-03-03

Last modified at

2022-03-18

Status

Released

Obsoleted

Not Assigned