Chemical Components in the PDB

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LZB : Summary

Code

LZB

One-letter code

X

Molecule name

5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systematic names

ProgramVersionName
ACDLabs 10.04 5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
OpenEye OEToolkits 1.5.0 5-chloro-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Formula

C10 H10 Cl N5

Formal charge

0

Molecular weight

235.673 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 N#Cc1cnn2c(cc(Cl)nc12)NC(C)C
SMILES CACTVS 3.341 CC(C)Nc1cc(Cl)nc2n1ncc2C#N
SMILES OpenEye OEToolkits 1.5.0 CC(C)Nc1cc(nc2n1ncc2C#N)Cl
Canonical SMILES CACTVS 3.341 CC(C)Nc1cc(Cl)nc2n1ncc2C#N
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(C)Nc1cc(nc2n1ncc2C#N)Cl

IUPAC InChI

InChI=1S/C10H10ClN5/c1-6(2)14-9-3-8(11)15-10-7(4-12)5-13-16(9)10/h3,5-6,14H,1-2H3

IUPAC InChI key

HFTLYNKTSANXFA-UHFFFAOYSA-N
LZB

wwPDB Information

Atom count

26 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

Is modified

No

Standard parent

Not Assigned

Defined at

2008-05-15

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned