Chemical Components in the PDB

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88X : Summary

Code

88X

One-letter code

X

Molecule name

5-ethyl-2-(phenylcarbonyl)imidazo[1,2-a]pyrimidin-7(1H)-one

Systematic names

Not Assigned

Formula

C15 H13 N3 O2

Formal charge

0

Molecular weight

267.283 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCC1=CC(=O)N=C2NC(=CN12)C(=O)c3ccccc3
SMILES OpenEye OEToolkits 1.7.5 CCC1=CC(=O)N=C2N1C=C(N2)C(=O)c3ccccc3
Canonical SMILES CACTVS 3.385 CCC1=CC(=O)N=C2NC(=CN12)C(=O)c3ccccc3
Canonical SMILES OpenEye OEToolkits 1.7.5 CCC1=CC(=O)N=C2N1C=C(N2)C(=O)c3ccccc3

IUPAC InChI

InChI=1S/C15H13N3O2/c1-2-11-8-13(19)17-15-16-12(9-18(11)15)14(20)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,17,19)

IUPAC InChI key

VHONGMGMJIQAAN-UHFFFAOYSA-N
88X

wwPDB Information

Atom count

33 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-01-06

Last modified at

2012-01-05

Status

Released

Obsoleted

Not Assigned