Chemical Components in the PDB

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7R8 : Summary

Code

7R8

One-letter code

X

Molecule name

6-oxidanylnaphthalene-2-carboximidamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 6-oxidanylnaphthalene-2-carboximidamide

Formula

C11 H10 N2 O

Formal charge

0

Molecular weight

186.21 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC(=N)c1ccc2cc(O)ccc2c1
SMILES OpenEye OEToolkits 2.0.7 c1cc(cc2c1cc(cc2)O)C(=N)N
Canonical SMILES CACTVS 3.385 NC(=N)c1ccc2cc(O)ccc2c1
Canonical SMILES OpenEye OEToolkits 2.0.7 [H]/N=C(\c1ccc2cc(ccc2c1)O)/N

IUPAC InChI

InChI=1S/C11H10N2O/c12-11(13)9-2-1-8-6-10(14)4-3-7(8)5-9/h1-6,14H,(H3,12,13)

IUPAC InChI key

ULKSSXOMKDEKPC-UHFFFAOYSA-N
7R8

wwPDB Information

Atom count

24 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-10-14

Last modified at

2022-10-07

Status

Released

Obsoleted

Not Assigned