Chemical Components in the PDB

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YEZ : Summary

Code

YEZ

One-letter code

X

Molecule name

[1]benzofuro[2,3-d]pyridazin-4(3H)-one

Systematic names

ProgramVersionName
ACDLabs 12.01 [1]benzofuro[2,3-d]pyridazin-4(3H)-one
OpenEye OEToolkits 2.0.7 3~{H}-[1]benzofuro[2,3-d]pyridazin-4-one

Formula

C10 H6 N2 O2

Formal charge

0

Molecular weight

186.167 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C1NN=Cc2c3ccccc3oc21
SMILES CACTVS 3.385 O=C1NN=Cc2c1oc3ccccc23
SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)c3c(o2)C(=O)NN=C3
Canonical SMILES CACTVS 3.385 O=C1NN=Cc2c1oc3ccccc23
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)c3c(o2)C(=O)NN=C3

IUPAC InChI

InChI=1S/C10H6N2O2/c13-10-9-7(5-11-12-10)6-3-1-2-4-8(6)14-9/h1-5H,(H,12,13)

IUPAC InChI key

JPYPDSHHTRFKAI-UHFFFAOYSA-N
YEZ

wwPDB Information

Atom count

20 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-01-26

Last modified at

2023-02-10

Status

Released

Obsoleted

Not Assigned