Chemical Components in the PDB

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JXW : Summary

Code

JXW

One-letter code

X

Molecule name

9-(2-chloroethyl)-8-methyl-purin-6-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 9-(2-chloroethyl)-8-methyl-purin-6-amine

Formula

C8 H10 Cl N5

Formal charge

0

Molecular weight

211.651 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1nc2c(N)ncnc2n1CCCl
SMILES OpenEye OEToolkits 2.0.7 Cc1nc2c(ncnc2n1CCCl)N
Canonical SMILES CACTVS 3.385 Cc1nc2c(N)ncnc2n1CCCl
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1nc2c(ncnc2n1CCCl)N

IUPAC InChI

InChI=1S/C8H10ClN5/c1-5-13-6-7(10)11-4-12-8(6)14(5)3-2-9/h4H,2-3H2,1H3,(H2,10,11,12)

IUPAC InChI key

XOAPLONMSUKXAM-UHFFFAOYSA-N
JXW

wwPDB Information

Atom count

24 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-04-11

Last modified at

2020-02-14

Status

Released

Obsoleted

Not Assigned