Chemical Components in the PDB

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7VS : Summary

Code

7VS

One-letter code

X

Molecule name

(4E)-4-hydrazinylidene-1,4-dihydroquinoline

Systematic names

ProgramVersionName
ACDLabs 12.01 (4E)-4-hydrazinylidene-1,4-dihydroquinoline
OpenEye OEToolkits 2.0.6 (~{E})-1~{H}-quinolin-4-ylidenediazane

Formula

C9 H9 N3

Formal charge

0

Molecular weight

159.188 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N\N=C1\c2c(NC=C1)cccc2
SMILES CACTVS 3.385 NN=C1C=CNc2ccccc12
SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)C(=NN)C=CN2
Canonical SMILES CACTVS 3.385 N\N=C1/C=CNc2ccccc12
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)/C(=N/N)/C=CN2

IUPAC InChI

InChI=1S/C9H9N3/c10-12-9-5-6-11-8-4-2-1-3-7(8)9/h1-6H,10H2,(H,11,12)

IUPAC InChI key

MYGFXCLXHGITIQ-UHFFFAOYSA-N
7VS

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

2016-12-08

Last modified at

2017-01-26

Status

Released

Obsoleted

Not Assigned