Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

TNZ : Summary

Code

TNZ

One-letter code

X

Molecule name

6-chloranyl-2-methoxy-4-phenyl-quinazoline

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 6-chloranyl-2-methoxy-4-phenyl-quinazoline

Formula

C15 H11 Cl N2 O

Formal charge

0

Molecular weight

270.714 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1nc2ccc(Cl)cc2c(n1)c3ccccc3
SMILES OpenEye OEToolkits 2.0.7 COc1nc2ccc(cc2c(n1)c3ccccc3)Cl
Canonical SMILES CACTVS 3.385 COc1nc2ccc(Cl)cc2c(n1)c3ccccc3
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1nc2ccc(cc2c(n1)c3ccccc3)Cl

IUPAC InChI

InChI=1S/C15H11ClN2O/c1-19-15-17-13-8-7-11(16)9-12(13)14(18-15)10-5-3-2-4-6-10/h2-9H,1H3

IUPAC InChI key

VEHAPNUVJXSXGZ-UHFFFAOYSA-N
TNZ

wwPDB Information

Atom count

30 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-01-12

Last modified at

2021-04-16

Status

Released

Obsoleted

Not Assigned