Chemical Components in the PDB

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8ZM : Summary

Code

8ZM

One-letter code

X

Molecule name

5-phenyltetrazolo[1,5-a]pyrimidin-7-ol

Systematic names

ProgramVersionName
ACDLabs 12.01 5-phenyltetrazolo[1,5-a]pyrimidin-7-ol
OpenEye OEToolkits 2.0.6 5-phenyl-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-7-ol

Formula

C10 H7 N5 O

Formal charge

0

Molecular weight

213.195 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c3(c1nc2n(c(c1)O)nnn2)ccccc3
SMILES CACTVS 3.385 Oc1cc(nc2nnnn12)c3ccccc3
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)c2cc(n3c(n2)nnn3)O
Canonical SMILES CACTVS 3.385 Oc1cc(nc2nnnn12)c3ccccc3
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)c2cc(n3c(n2)nnn3)O

IUPAC InChI

InChI=1S/C10H7N5O/c16-9-6-8(7-4-2-1-3-5-7)11-10-12-13-14-15(9)10/h1-6,16H

IUPAC InChI key

ZEMGYOQXYFNSGE-UHFFFAOYSA-N
8ZM

wwPDB Information

Atom count

23 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-03-23

Last modified at

2017-09-22

Status

Released

Obsoleted

Not Assigned