Chemical Components in the PDB

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M3Z : Summary

Code

M3Z

One-letter code

X

Molecule name

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

Systematic names

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

Formula

C13 H15 N3 O2

Formal charge

0

Molecular weight

245.277 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN(CC1=NC(=O)NC(=O)C1)Cc2ccccc2
SMILES OpenEye OEToolkits 2.0.7 CN(Cc1ccccc1)CC2=NC(=O)NC(=O)C2
Canonical SMILES CACTVS 3.385 CN(CC1=NC(=O)NC(=O)C1)Cc2ccccc2
Canonical SMILES OpenEye OEToolkits 2.0.7 CN(Cc1ccccc1)CC2=NC(=O)NC(=O)C2

IUPAC InChI

InChI=1S/C13H15N3O2/c1-16(8-10-5-3-2-4-6-10)9-11-7-12(17)15-13(18)14-11/h2-6H,7-9H2,1H3,(H,15,17,18)

IUPAC InChI key

RNBXCVLIBKJIGQ-UHFFFAOYSA-N
M3Z

wwPDB Information

Atom count

33 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-10-03

Last modified at

2020-02-28

Status

Released

Obsoleted

Not Assigned