Chemical Components in the PDB

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RNK : Summary

Code

RNK

One-letter code

X

Molecule name

4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one

Formula

C11 H12 Cl N3 O S

Formal charge

0

Molecular weight

269.75 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN1N=CC(=C(Cl)C1=O)NCc2sccc2C
SMILES OpenEye OEToolkits 2.0.6 Cc1ccsc1CNC2=C(C(=O)N(N=C2)C)Cl
Canonical SMILES CACTVS 3.385 CN1N=CC(=C(Cl)C1=O)NCc2sccc2C
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1ccsc1CNC2=C(C(=O)N(N=C2)C)Cl

IUPAC InChI

InChI=1S/C11H12ClN3OS/c1-7-3-4-17-9(7)6-13-8-5-14-15(2)11(16)10(8)12/h3-5,13H,6H2,1-2H3

IUPAC InChI key

UTXFLBKLCRBXBW-UHFFFAOYSA-N
RNK

wwPDB Information

Atom count

29 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-12-06

Last modified at

2017-12-15

Status

Released

Obsoleted

Not Assigned