Chemical Components in the PDB

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9Z2 : Summary

Code

9Z2

One-letter code

X

Molecule name

~{N}-(4-pyrimidin-2-ylphenyl)propanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ~{N}-(4-pyrimidin-2-ylphenyl)propanamide

Formula

C13 H13 N3 O

Formal charge

0

Molecular weight

227.262 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCC(=O)Nc1ccc(cc1)c2ncccn2
SMILES OpenEye OEToolkits 2.0.6 CCC(=O)Nc1ccc(cc1)c2ncccn2
Canonical SMILES CACTVS 3.385 CCC(=O)Nc1ccc(cc1)c2ncccn2
Canonical SMILES OpenEye OEToolkits 2.0.6 CCC(=O)Nc1ccc(cc1)c2ncccn2

IUPAC InChI

InChI=1S/C13H13N3O/c1-2-12(17)16-11-6-4-10(5-7-11)13-14-8-3-9-15-13/h3-9H,2H2,1H3,(H,16,17)

IUPAC InChI key

AYWSBVNLDJWGBC-UHFFFAOYSA-N
9Z2

wwPDB Information

Atom count

30 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-08-05

Last modified at

2018-08-24

Status

Released

Obsoleted

Not Assigned