Chemical Components in the PDB

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0YI : Summary

Code

0YI

One-letter code

X

Molecule name

3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide

Formula

C12 H11 Cl N4 O

Formal charge

0

Molecular weight

262.695 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC(=O)c1nccnc1NCc2ccccc2Cl
SMILES OpenEye OEToolkits 2.0.7 c1ccc(c(c1)CNc2c(nccn2)C(=O)N)Cl
Canonical SMILES CACTVS 3.385 NC(=O)c1nccnc1NCc2ccccc2Cl
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(c(c1)CNc2c(nccn2)C(=O)N)Cl

IUPAC InChI

InChI=1S/C12H11ClN4O/c13-9-4-2-1-3-8(9)7-17-12-10(11(14)18)15-5-6-16-12/h1-6H,7H2,(H2,14,18)(H,16,17)

IUPAC InChI key

SZIKCJPPVPPUMU-UHFFFAOYSA-N
0YI

wwPDB Information

Atom count

29 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-06-09

Last modified at

2021-07-23

Status

Released

Obsoleted

Not Assigned