Chemical Components in the PDB

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P0K : Summary

Code

P0K

One-letter code

X

Molecule name

6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione

Formula

C11 H13 N3 O3

Formal charge

0

Molecular weight

235.239 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN(CC1=NC(=O)NC(=O)C1)Cc2occc2
SMILES OpenEye OEToolkits 2.0.7 CN(Cc1ccco1)CC2=NC(=O)NC(=O)C2
Canonical SMILES CACTVS 3.385 CN(CC1=NC(=O)NC(=O)C1)Cc2occc2
Canonical SMILES OpenEye OEToolkits 2.0.7 CN(Cc1ccco1)CC2=NC(=O)NC(=O)C2

IUPAC InChI

InChI=1S/C11H13N3O3/c1-14(7-9-3-2-4-17-9)6-8-5-10(15)13-11(16)12-8/h2-4H,5-7H2,1H3,(H,13,15,16)

IUPAC InChI key

PWXNLVGSEBBXAV-UHFFFAOYSA-N
P0K

wwPDB Information

Atom count

30 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-04-14

Last modified at

2020-07-10

Status

Released

Obsoleted

Not Assigned