ZS1

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

Created:	2021-05-28
Last modified:	2021-09-01

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1 entries where ZS1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	6

2D diagram of ZS1

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Chemical Component Summary
Name	(1Z)-1-imino-1H-isoindol-3-amine
Systematic Name (OpenEye OEToolkits)	3-azanylideneisoindol-1-amine
Formula	C₈ H₇ N₃
Molecular Weight	145.161
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
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
InChI	InChI	1.03	InChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)
InChIKey	InChI	1.03	RZVCEPSDYHAHLX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	18980
ChEMBL	CHEMBL3185395
CCDC/CSD	EXUQAP, EXUQAP01
COD	7102556

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.