Chemical Components in the PDB

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5ZK : Summary

Code

5ZK

One-letter code

X

Molecule name

~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine

Formula

C7 H9 N5

Formal charge

0

Molecular weight

163.18 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CNc1ncnc2c(C)n[nH]c12
SMILES OpenEye OEToolkits 2.0.7 Cc1c2c(c(ncn2)NC)[nH]n1
Canonical SMILES CACTVS 3.385 CNc1ncnc2c(C)n[nH]c12
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1c2c(c(ncn2)NC)[nH]n1

IUPAC InChI

InChI=1S/C7H9N5/c1-4-5-6(12-11-4)7(8-2)10-3-9-5/h3H,1-2H3,(H,11,12)(H,8,9,10)

IUPAC InChI key

SUUWWTXOJILAMU-UHFFFAOYSA-N
5ZK

wwPDB Information

Atom count

21 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-07-21

Last modified at

2021-10-15

Status

Released

Obsoleted

Not Assigned