Chemical Components in the PDB

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BZE : Summary

Code

BZE

One-letter code

X

Molecule name

6-phenyl-1,3,5-triazine-2,4-diamine

Synonyms

BENZOGUANAMINE

Systematic names

ProgramVersionName
ACDLabs 12.01 6-phenyl-1,3,5-triazine-2,4-diamine
OpenEye OEToolkits 1.7.6 6-phenyl-1,3,5-triazine-2,4-diamine

Formula

C9 H9 N5

Formal charge

0

Molecular weight

187.201 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n1c(nc(nc1c2ccccc2)N)N
SMILES CACTVS 3.370 Nc1nc(N)nc(n1)c2ccccc2
SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)c2nc(nc(n2)N)N
Canonical SMILES CACTVS 3.370 Nc1nc(N)nc(n1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)c2nc(nc(n2)N)N

IUPAC InChI

InChI=1S/C9H9N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14)

IUPAC InChI key

GZVHEAJQGPRDLQ-UHFFFAOYSA-N
BZE

wwPDB Information

Atom count

23 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-05-10

Last modified at

2013-05-17

Status

Released

Obsoleted

Not Assigned