Chemical Components in the PDB

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OOL : Summary

Code

OOL

One-letter code

X

Molecule name

(E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine

Systematic names

ProgramVersionName
ACDLabs 12.01 (E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine
OpenEye OEToolkits 2.0.7 (4,6-dimethoxypyrimidin-2-yl)methanimine

Formula

C7 H9 N3 O2

Formal charge

0

Molecular weight

167.165 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N=Cc1nc(OC)cc(OC)n1
SMILES CACTVS 3.385 COc1cc(OC)nc(C=N)n1
SMILES OpenEye OEToolkits 2.0.7 COc1cc(nc(n1)C=N)OC
Canonical SMILES CACTVS 3.385 COc1cc(OC)nc(C=N)n1
Canonical SMILES OpenEye OEToolkits 2.0.7 [H]/N=C/c1nc(cc(n1)OC)OC

IUPAC InChI

InChI=1S/C7H9N3O2/c1-11-6-3-7(12-2)10-5(4-8)9-6/h3-4,8H,1-2H3/b8-4+

IUPAC InChI key

ZNXPLNWUFWZUFS-XBXARRHUSA-N
OOL

wwPDB Information

Atom count

21 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-08-17

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned