Chemical Components in the PDB

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PXZ : Summary

Code

PXZ

One-letter code

X

Molecule name

2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-PHENOXAZIN-3-ONE

Synonyms

PHENOXAZINE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarbaldehyde
OpenEye OEToolkits 1.5.0 2-amino-4,6-dimethyl-3-oxo-phenoxazine-1,9-dicarbaldehyde

Formula

C16 H12 N2 O4

Formal charge

0

Molecular weight

296.277 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=CC=2C1=Nc3c(OC1=C(C(=O)C=2N)C)c(ccc3C=O)C
SMILES CACTVS 3.341 Cc1ccc(C=O)c2N=C3C(=C(C)C(=O)C(=C3C=O)N)Oc12
SMILES OpenEye OEToolkits 1.5.0 Cc1ccc(c2c1OC3=C(C(=O)C(=C(C3=N2)C=O)N)C)C=O
Canonical SMILES CACTVS 3.341 Cc1ccc(C=O)c2N=C3C(=C(C)C(=O)C(=C3C=O)N)Oc12
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1ccc(c2c1OC3=C(C(=O)C(=C(C3=N2)C=O)N)C)C=O

IUPAC InChI

InChI=1S/C16H12N2O4/c1-7-3-4-9(5-19)12-15(7)22-16-8(2)14(21)11(17)10(6-20)13(16)18-12/h3-6H,17H2,1-2H3

IUPAC InChI key

DVSBNVQZBAXORT-UHFFFAOYSA-N
PXZ

wwPDB Information

Atom count

34 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned