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- ChemComp-IF3: ~{N}2,~{N}6,9-trimethylpurine-2,6-diamine -

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Basic information

EntryDatabase: PDB chemical components / ID: IF3
NameName: ~{N}2,~{N}6,9-trimethylpurine-2,6-diamine

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Chemical information

Composition
Formula: C8H12N6 / Number of atoms: 26 / Formula weight: 192.221 / Formal charge: 0
Others

7z7f

Type: non-polymer / PDB classification: HETAIN / Three letter code: IF3 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7Z7F
History
Create componentMar 16, 2022
Initial releaseMar 23, 2022
Modify descriptorAug 22, 2022
External linksUniChem / ChemSpider / ChEMBL / PubChem / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CNc1nc(NC)c2ncn(C)c2n1
OpenEye OEToolkits 2.0.7CNc1c2c(nc(n1)NC)n(cn2)C

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SMILES CANONICAL

CACTVS 3.385CNc1nc(NC)c2ncn(C)c2n1
OpenEye OEToolkits 2.0.7CNc1c2c(nc(n1)NC)n(cn2)C

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InChI

InChI 1.06InChI=1S/C8H12N6/c1-9-6-5-7(14(3)4-11-5)13-8(10-2)12-6/h4H,1-3H3,(H2,9,10,12,13)

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InChIKey

InChI 1.06YFZMXDSHFHHAQH-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7z7f:
Crystal structure of YTHDF2 with compound YLI_DC1_005

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