Chemical Components in the PDB

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IWS : Summary

Code

IWS

One-letter code

X

Molecule name

(4R,10aP)-imidazo[1,2-c]quinazolin-5(6H)-one

Systematic names

ProgramVersionName
ACDLabs 12.01 (4R,10aP)-imidazo[1,2-c]quinazolin-5(6H)-one
OpenEye OEToolkits 2.0.7 6~{H}-imidazo[1,2-c]quinazolin-5-one

Formula

C10 H7 N3 O

Formal charge

0

Molecular weight

185.182 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C1Nc2ccccc2c2nccn21
SMILES CACTVS 3.385 O=C1Nc2ccccc2c3nccn13
SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)-c3nccn3C(=O)N2
Canonical SMILES CACTVS 3.385 O=C1Nc2ccccc2c3nccn13
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)-c3nccn3C(=O)N2

IUPAC InChI

InChI=1S/C10H7N3O/c14-10-12-8-4-2-1-3-7(8)9-11-5-6-13(9)10/h1-6H,(H,12,14)

IUPAC InChI key

LINBAKANHINCIC-UHFFFAOYSA-N
IWS

wwPDB Information

Atom count

21 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-02-01

Last modified at

2022-10-07

Status

Released

Obsoleted

Not Assigned