Chemical Components in the PDB

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5GL : Summary

Code

5GL

One-letter code

X

Molecule name

4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one

Formula

C13 H20 N2 O S

Formal charge

0

Molecular weight

252.376 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCN1C(=O)N=C(SC(C)C)C2=C1CCC2
SMILES OpenEye OEToolkits 2.0.4 CCCN1C2=C(CCC2)C(=NC1=O)SC(C)C
Canonical SMILES CACTVS 3.385 CCCN1C(=O)N=C(SC(C)C)C2=C1CCC2
Canonical SMILES OpenEye OEToolkits 2.0.4 CCCN1C2=C(CCC2)C(=NC1=O)SC(C)C

IUPAC InChI

InChI=1S/C13H20N2OS/c1-4-8-15-11-7-5-6-10(11)12(14-13(15)16)17-9(2)3/h9H,4-8H2,1-3H3

IUPAC InChI key

KUWKRQXLULNLGL-UHFFFAOYSA-N
5GL

wwPDB Information

Atom count

37 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-09-24

Last modified at

2016-09-23

Status

Released

Obsoleted

Not Assigned