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K8W : Summary

Code

K8W

One-letter code

X

Molecule name

7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide

Formula

C15 H14 N4 S

Formal charge

0

Molecular weight

282.363 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1ccc(nc1N)c2cccc3cc(sc23)C(N)=N
SMILES OpenEye OEToolkits 2.0.7 Cc1ccc(nc1N)c2cccc3c2sc(c3)C(=N)N
Canonical SMILES CACTVS 3.385 Cc1ccc(nc1N)c2cccc3cc(sc23)C(N)=N
Canonical SMILES OpenEye OEToolkits 2.0.7 [H]/N=C(\c1cc2cccc(c2s1)c3ccc(c(n3)N)C)/N

IUPAC InChI

InChI=1S/C15H14N4S/c1-8-5-6-11(19-15(8)18)10-4-2-3-9-7-12(14(16)17)20-13(9)10/h2-7H,1H3,(H3,16,17)(H2,18,19)

IUPAC InChI key

WXGXCTAHOSYPBQ-UHFFFAOYSA-N
K8W

wwPDB Information

Atom count

34 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-05-06

Last modified at

2020-06-12

Status

Released

Obsoleted

Not Assigned