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- ChemComp-MST: 2-T-BUTYLAMINO-4-ETHYLAMINO-6-METHYLTHIO-S-TRIAZINE -

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Basic information

EntryDatabase: PDB chemical components / ID: MST
NameName: 2-T-butylamino-4-ethylamino-6-methylthio-S-triazine

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Chemical information

Composition
Formula: C10H19N5S / Number of atoms: 35 / Formula weight: 241.356 / Formal charge: 0
Others

1dxr

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MST / Model coordinates PDB-ID: 1DXR
History
Create componentJan 17, 2000
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / KEGG_Ligand / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04S(c1nc(nc(n1)NC(C)(C)C)NCC)C
CACTVS 3.341CCNc1nc(NC(C)(C)C)nc(SC)n1
OpenEye OEToolkits 1.5.0CCNc1nc(nc(n1)SC)NC(C)(C)C

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SMILES CANONICAL

CACTVS 3.341CCNc1nc(NC(C)(C)C)nc(SC)n1
OpenEye OEToolkits 1.5.0CCNc1nc(nc(n1)SC)NC(C)(C)C

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InChI

InChI 1.03InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)

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InChIKey

InChI 1.03IROINLKCQGIITA-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-tert-butyl-N'-ethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine
OpenEye OEToolkits 1.5.0N-tert-butyl-N'-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

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PDB entries

Showing all 4 items

PDB-1dxr:
Photosynthetic reaction center from Rhodopseudomonas viridis - His L168 Phe mutant (terbutryn complex)

PDB-2bnp:
Lipidic cubic phase grown reaction centre from Rhodobacter sphaeroides, ground state

PDB-2bns:
Lipidic cubic phase grown reaction centre from Rhodobacter sphaeroides, excited state

PDB-4v82:
Crystal structure of cyanobacterial Photosystem II in complex with terbutryn

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