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7ZL : Summary

Code

7ZL

One-letter code

X

Molecule name

5-chloro-N4-phenylpyrimidine-2,4-diamine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 5-chloranyl-~{N}4-phenyl-pyrimidine-2,4-diamine

Formula

C10 H9 Cl N4

Formal charge

0

Molecular weight

220.658 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1ncc(Cl)c(Nc2ccccc2)n1
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)Nc2c(cnc(n2)N)Cl
Canonical SMILES CACTVS 3.385 Nc1ncc(Cl)c(Nc2ccccc2)n1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)Nc2c(cnc(n2)N)Cl

IUPAC InChI

InChI=1S/C10H9ClN4/c11-8-6-13-10(12)15-9(8)14-7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15)

IUPAC InChI key

FRISIUXBSNAYFR-UHFFFAOYSA-N
7ZL

wwPDB Information

Atom count

24 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-02-23

Last modified at

2017-05-19

Status

Released

Obsoleted

Not Assigned