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ADZ : Summary

Code

ADZ

One-letter code

X

Molecule name

9-METHYL-9H-PURIN-6-AMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 9-methyl-9H-purin-6-amine
OpenEye OEToolkits 1.5.0 9-methylpurin-6-amine

Formula

C6 H7 N5

Formal charge

0

Molecular weight

149.153 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1c(c2ncn(c2nc1)C)N
SMILES CACTVS 3.341 Cn1cnc2c(N)ncnc12
SMILES OpenEye OEToolkits 1.5.0 Cn1cnc2c1ncnc2N
Canonical SMILES CACTVS 3.341 Cn1cnc2c(N)ncnc12
Canonical SMILES OpenEye OEToolkits 1.5.0 Cn1cnc2c1ncnc2N

IUPAC InChI

InChI=1S/C6H7N5/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-3H,1H3,(H2,7,8,9)

IUPAC InChI key

WRXCXOUDSPTXNX-UHFFFAOYSA-N
ADZ

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

2002-12-19

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned