Chemical Components in the PDB

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HH5 : Summary

Code

HH5

One-letter code

X

Molecule name

6-iodanyl-7~{H}-purin-2-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 6-iodanyl-7~{H}-purin-2-amine

Formula

C5 H4 I N5

Formal charge

0

Molecular weight

261.023 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1nc(I)c2[nH]cnc2n1
SMILES OpenEye OEToolkits 2.0.6 c1[nH]c2c(n1)nc(nc2I)N
Canonical SMILES CACTVS 3.385 Nc1nc(I)c2[nH]cnc2n1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1[nH]c2c(n1)nc(nc2I)N

IUPAC InChI

InChI=1S/C5H4IN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)

IUPAC InChI key

CQYPNVKLVHHOSJ-UHFFFAOYSA-N
HH5

wwPDB Information

Atom count

15 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-12-06

Last modified at

2019-03-15

Status

Released

Obsoleted

Not Assigned