Chemical Components in the PDB

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0W7 : Summary

Code

0W7

One-letter code

X

Molecule name

2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]-N-phenylacetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]-N-phenylacetamide
OpenEye OEToolkits 1.7.6 2-(4-morpholin-4-yl-6-oxidanylidene-1H-pyrimidin-2-yl)-N-phenyl-ethanamide

Formula

C16 H18 N4 O3

Formal charge

0

Molecular weight

314.339 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C1C=C(N=C(N1)CC(=O)Nc2ccccc2)N3CCOCC3
SMILES CACTVS 3.370 O=C(CC1=NC(=CC(=O)N1)N2CCOCC2)Nc3ccccc3
SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)NC(=O)CC2=NC(=CC(=O)N2)N3CCOCC3
Canonical SMILES CACTVS 3.370 O=C(CC1=NC(=CC(=O)N1)N2CCOCC2)Nc3ccccc3
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)NC(=O)CC2=NC(=CC(=O)N2)N3CCOCC3

IUPAC InChI

InChI=1S/C16H18N4O3/c21-15(17-12-4-2-1-3-5-12)10-13-18-14(11-16(22)19-13)20-6-8-23-9-7-20/h1-5,11H,6-10H2,(H,17,21)(H,18,19,22)

IUPAC InChI key

FPFCFOIMTFHSNY-UHFFFAOYSA-N
0W7

wwPDB Information

Atom count

41 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-07-19

Last modified at

2012-11-09

Status

Released

Obsoleted

Not Assigned