Chemical Components in the PDB

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ZS1 : Summary

Code

ZS1

One-letter code

X

Molecule name

(1Z)-1-imino-1H-isoindol-3-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 (1Z)-1-imino-1H-isoindol-3-amine
OpenEye OEToolkits 2.0.7 3-azanylideneisoindol-1-amine

Formula

C8 H7 N3

Formal charge

0

Molecular weight

145.161 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N=C1N=C(N)c2ccccc12
SMILES CACTVS 3.385 NC1=NC(=N)c2ccccc12
SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)C(=NC2=N)N
Canonical SMILES CACTVS 3.385 NC1=NC(=N)c2ccccc12
Canonical SMILES OpenEye OEToolkits 2.0.7 [H]/N=C\1/c2ccccc2C(=N1)N

IUPAC InChI

InChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)

IUPAC InChI key

RZVCEPSDYHAHLX-UHFFFAOYSA-N
ZS1

wwPDB Information

Atom count

18 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-05-28

Last modified at

2021-08-27

Status

Released

Obsoleted

Not Assigned