Chemical Components in the PDB

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2K9 : Summary

Code

2K9

One-letter code

X

Molecule name

9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one

Systematic names

ProgramVersionName
ACDLabs 12.01 9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one

Formula

C19 H11 N3 O

Formal charge

0

Molecular weight

297.31 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C4N=C2C(=Cc3c(c1ccccc1)cccc23)n5ccnc45
SMILES CACTVS 3.385 O=C1N=C2C(=Cc3c(cccc23)c4ccccc4)n5ccnc15
SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)c2cccc3c2C=C4C3=NC(=O)c5n4ccn5
Canonical SMILES CACTVS 3.385 O=C1N=C2C(=Cc3c(cccc23)c4ccccc4)n5ccnc15
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)c2cccc3c2C=C4C3=NC(=O)c5n4ccn5

IUPAC InChI

InChI=1S/C19H11N3O/c23-19-18-20-9-10-22(18)16-11-15-13(12-5-2-1-3-6-12)7-4-8-14(15)17(16)21-19/h1-11H

IUPAC InChI key

SFZNDQGUHVYHPD-UHFFFAOYSA-N
2K9

wwPDB Information

Atom count

34 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-11-14

Last modified at

2015-03-20

Status

Released

Obsoleted

Not Assigned