Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

NMU : Summary

Code

NMU

One-letter code

X

Molecule name

N-METHYLUREA

Systematic names

ProgramVersionName
ACDLabs 10.04 1-methylurea
OpenEye OEToolkits 1.5.0 methylurea

Formula

C2 H6 N2 O

Formal charge

0

Molecular weight

74.082 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(N)NC
SMILES CACTVS 3.341 CNC(N)=O
SMILES OpenEye OEToolkits 1.5.0 CNC(=O)N
Canonical SMILES CACTVS 3.341 CNC(N)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CNC(=O)N

IUPAC InChI

InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)

IUPAC InChI key

XGEGHDBEHXKFPX-UHFFFAOYSA-N
NMU

wwPDB Information

Atom count

11 (5 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-04-22

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned