Chemical Components in the PDB

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AXV : Summary

Code

AXV

One-letter code

X

Molecule name

1~{H}-benzimidazol-2-ylcyanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 1~{H}-benzimidazol-2-ylcyanamide

Formula

C8 H6 N4

Formal charge

0

Molecular weight

158.16 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N#CNc1[nH]c2ccccc2n1
SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)[nH]c(n2)NC#N
Canonical SMILES CACTVS 3.385 N#CNc1[nH]c2ccccc2n1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)[nH]c(n2)NC#N

IUPAC InChI

InChI=1S/C8H6N4/c9-5-10-8-11-6-3-1-2-4-7(6)12-8/h1-4H,(H2,10,11,12)

IUPAC InChI key

NYLIXUBOFQIMGV-UHFFFAOYSA-N
AXV

wwPDB Information

Atom count

18 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-07-28

Last modified at

2018-08-03

Status

Released

Obsoleted

Not Assigned