Chemical Components in the PDB

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DZO : Summary

Code

DZO

One-letter code

X

Molecule name

3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine

Systematic names

ProgramVersionName
ACDLabs 10.04 3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine
OpenEye OEToolkits 1.5.0 3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine

Formula

C18 H14 Cl N5

Formal charge

0

Molecular weight

335.79 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Clc1cccc(c1)Nc2nc3c(cnn3cc2)c4cccc(N)c4
SMILES CACTVS 3.341 Nc1cccc(c1)c2cnn3ccc(Nc4cccc(Cl)c4)nc23
SMILES OpenEye OEToolkits 1.5.0 c1cc(cc(c1)N)c2cnn3c2nc(cc3)Nc4cccc(c4)Cl
Canonical SMILES CACTVS 3.341 Nc1cccc(c1)c2cnn3ccc(Nc4cccc(Cl)c4)nc23
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(cc(c1)N)c2cnn3c2nc(cc3)Nc4cccc(c4)Cl

IUPAC InChI

InChI=1S/C18H14ClN5/c19-13-4-2-6-15(10-13)22-17-7-8-24-18(23-17)16(11-21-24)12-3-1-5-14(20)9-12/h1-11H,20H2,(H,22,23)

IUPAC InChI key

JDNMRPIWJIDDAY-UHFFFAOYSA-N
DZO

wwPDB Information

Atom count

38 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-08-20

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned