Chemical Components in the PDB

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93B : Summary

Code

93B

One-letter code

X

Molecule name

1,3-diazinane-2-thione

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 1,3-diazinane-2-thione

Formula

C4 H8 N2 S

Formal charge

0

Molecular weight

116.185 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 S=C1NCCCN1
SMILES OpenEye OEToolkits 2.0.6 C1CNC(=S)NC1
Canonical SMILES CACTVS 3.385 S=C1NCCCN1
Canonical SMILES OpenEye OEToolkits 2.0.6 C1CNC(=S)NC1

IUPAC InChI

InChI=1S/C4H8N2S/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)

IUPAC InChI key

NVHNGVXBCWYLFA-UHFFFAOYSA-N
93B

wwPDB Information

Atom count

15 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-04-13

Last modified at

2017-07-07

Status

Released

Obsoleted

Not Assigned