Chemical Components in the PDB

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Z0B : Summary

Code

Z0B

One-letter code

X

Molecule name

thieno[2,3-c][2,6]naphthyridine

Systematic names

ProgramVersionName
ACDLabs 12.01 thieno[2,3-c][2,6]naphthyridine
OpenEye OEToolkits 1.9.2 thieno[2,3-c][2,6]naphthyridine

Formula

C10 H6 N2 S

Formal charge

0

Molecular weight

186.233 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n2cc1ccncc1c3c2scc3
SMILES CACTVS 3.385 s1ccc2c1ncc3ccncc23
SMILES OpenEye OEToolkits 1.9.2 c1cncc2c1cnc3c2ccs3
Canonical SMILES CACTVS 3.385 s1ccc2c1ncc3ccncc23
Canonical SMILES OpenEye OEToolkits 1.9.2 c1cncc2c1cnc3c2ccs3

IUPAC InChI

InChI=1S/C10H6N2S/c1-3-11-6-9-7(1)5-12-10-8(9)2-4-13-10/h1-6H

IUPAC InChI key

VATAXIZKQYLONB-UHFFFAOYSA-N
Z0B

wwPDB Information

Atom count

19 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-04-09

Last modified at

2014-09-05

Status

Released

Obsoleted

Not Assigned