Chemical Components in the PDB

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6RT : Summary

Code

6RT

One-letter code

X

Molecule name

2,4-bis(aziridin-1-yl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.5 2,4-bis(aziridin-1-yl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine

Formula

C17 H16 N6

Formal charge

0

Molecular weight

304.349 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C1CN1c2nc(nc(n2)c3cccn3c4ccccc4)N5CC5
SMILES OpenEye OEToolkits 2.0.5 c1ccc(cc1)n2cccc2c3nc(nc(n3)N4CC4)N5CC5
Canonical SMILES CACTVS 3.385 C1CN1c2nc(nc(n2)c3cccn3c4ccccc4)N5CC5
Canonical SMILES OpenEye OEToolkits 2.0.5 c1ccc(cc1)n2cccc2c3nc(nc(n3)N4CC4)N5CC5

IUPAC InChI

InChI=1S/C17H16N6/c1-2-5-13(6-3-1)23-8-4-7-14(23)15-18-16(21-9-10-21)20-17(19-15)22-11-12-22/h1-8H,9-12H2

IUPAC InChI key

DAZONCQAIYYVKR-UHFFFAOYSA-N
6RT

wwPDB Information

Atom count

39 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-06-08

Last modified at

2016-09-23

Status

Released

Obsoleted

Not Assigned