Chemical Components in the PDB

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AZG : Summary

Code

AZG

One-letter code

X

Molecule name

5-AMINO-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL

Synonyms

8-AZAGUANINE

Systematic names

ProgramVersionName
ACDLabs 10.04 5-amino-1H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
OpenEye OEToolkits 1.5.0 5-amino-1H-[1,2,3]triazolo[5,4-e]pyrimidin-7-ol

Formula

C4 H4 N6 O

Formal charge

0

Molecular weight

152.114 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1c(O)c2c(nc1N)nnn2
SMILES CACTVS 3.341 Nc1nc(O)c2[nH]nnc2n1
SMILES OpenEye OEToolkits 1.5.0 c12c(nc(nc1O)N)nn[nH]2
Canonical SMILES CACTVS 3.341 Nc1nc(O)c2[nH]nnc2n1
Canonical SMILES OpenEye OEToolkits 1.5.0 c12c(nc(nc1O)N)nn[nH]2

IUPAC InChI

InChI=1S/C4H4N6O/c5-4-6-2-1(3(11)7-4)8-10-9-2/h(H4,5,6,7,8,9,10,11)

IUPAC InChI key

LPXQRXLUHJKZIE-UHFFFAOYSA-N
AZG

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

2003-11-10

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned