Chemical Components in the PDB

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ATZ : Summary

Code

ATZ

One-letter code

X

Molecule name

2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO -1,3,5-TRIAZINE

Synonyms

ATRAZINE

Systematic names

ProgramVersionName
ACDLabs 10.04 6-chloro-N-ethyl-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine
OpenEye OEToolkits 1.5.0 6-chloro-N'-ethyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine

Formula

C8 H14 Cl N5

Formal charge

0

Molecular weight

215.683 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Clc1nc(nc(n1)NC(C)C)NCC
SMILES CACTVS 3.341 CCNc1nc(Cl)nc(NC(C)C)n1
SMILES OpenEye OEToolkits 1.5.0 CCNc1nc(nc(n1)Cl)NC(C)C
Canonical SMILES CACTVS 3.341 CCNc1nc(Cl)nc(NC(C)C)n1
Canonical SMILES OpenEye OEToolkits 1.5.0 CCNc1nc(nc(n1)Cl)NC(C)C

IUPAC InChI

InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)

IUPAC InChI key

MXWJVTOOROXGIU-UHFFFAOYSA-N
ATZ

wwPDB Information

Atom count

28 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned