Chemical Components in the PDB

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YE7 : Summary

Code

YE7

One-letter code

X

Molecule name

IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 imidazo[2,1-a]isoquinoline-2-carbohydrazide
OpenEye OEToolkits 1.5.0 imidazo[2,1-a]isoquinoline-2-carbohydrazide

Formula

C12 H10 N4 O

Formal charge

0

Molecular weight

226.234 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(c1nc2c3c(ccn2c1)cccc3)NN
SMILES CACTVS 3.341 NNC(=O)c1cn2ccc3ccccc3c2n1
SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)ccn3c2nc(c3)C(=O)NN
Canonical SMILES CACTVS 3.341 NNC(=O)c1cn2ccc3ccccc3c2n1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)ccn3c2nc(c3)C(=O)NN

IUPAC InChI

InChI=1S/C12H10N4O/c13-15-12(17)10-7-16-6-5-8-3-1-2-4-9(8)11(16)14-10/h1-7H,13H2,(H,15,17)

IUPAC InChI key

WSNWYZBDIKCPIG-UHFFFAOYSA-N
YE7

wwPDB Information

Atom count

27 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-03-29

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned