Chemical Components in the PDB

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JY8 : Summary

Code

JY8

One-letter code

X

Molecule name

9-ethyl-8-methyl-purin-6-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 9-ethyl-8-methyl-purin-6-amine

Formula

C8 H11 N5

Formal charge

0

Molecular weight

177.206 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCn1c(C)nc2c(N)ncnc12
SMILES OpenEye OEToolkits 2.0.7 CCn1c(nc2c1ncnc2N)C
Canonical SMILES CACTVS 3.385 CCn1c(C)nc2c(N)ncnc12
Canonical SMILES OpenEye OEToolkits 2.0.7 CCn1c(nc2c1ncnc2N)C

IUPAC InChI

InChI=1S/C8H11N5/c1-3-13-5(2)12-6-7(9)10-4-11-8(6)13/h4H,3H2,1-2H3,(H2,9,10,11)

IUPAC InChI key

XTIWXGMLCTZPOO-UHFFFAOYSA-N
JY8

wwPDB Information

Atom count

24 (13 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