Chemical Components in the PDB

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AM4 : Summary

Code

AM4

One-letter code

X

Molecule name

4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 4-(methylsulfonyl)benzenecarboximidamide
OpenEye OEToolkits 1.5.0 4-methylsulfonylbenzenecarboximidamide

Formula

C8 H10 N2 O2 S

Formal charge

0

Molecular weight

198.242 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=S(=O)(c1ccc(C(=[N@H])N)cc1)C
SMILES CACTVS 3.341 C[S](=O)(=O)c1ccc(cc1)C(N)=N
SMILES OpenEye OEToolkits 1.5.0 CS(=O)(=O)c1ccc(cc1)C(=N)N
Canonical SMILES CACTVS 3.341 C[S](=O)(=O)c1ccc(cc1)C(N)=N
Canonical SMILES OpenEye OEToolkits 1.5.0 CS(=O)(=O)c1ccc(cc1)C(=N)N

IUPAC InChI

InChI=1S/C8H10N2O2S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10)

IUPAC InChI key

ANPBNAUKOUYEGJ-UHFFFAOYSA-N
AM4

wwPDB Information

Atom count

23 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-07-15

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned