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- ChemComp-5ZK: ~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: 5ZK
NameName: ~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine

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Chemical information

Composition
Formula: C7H9N5 / Number of atoms: 21 / Formula weight: 163.18 / Formal charge: 0
Others

7p8f

Type: non-polymer / PDB classification: HETAIN / Three letter code: 5ZK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7P8F
History
Create componentJul 21, 2021
Initial releaseOct 20, 2021
External linksUniChem / ChemSpider / ChEMBL / PubChem / 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

CACTVS 3.385CNc1ncnc2c(C)n[nH]c12
OpenEye OEToolkits 2.0.7Cc1c2c(c(ncn2)NC)[nH]n1

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SMILES CANONICAL

CACTVS 3.385CNc1ncnc2c(C)n[nH]c12
OpenEye OEToolkits 2.0.7Cc1c2c(c(ncn2)NC)[nH]n1

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InChI

InChI 1.03InChI=1S/C7H9N5/c1-4-5-6(12-11-4)7(8-2)10-3-9-5/h3H,1-2H3,(H,11,12)(H,8,9,10)

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InChIKey

InChI 1.03SUUWWTXOJILAMU-UHFFFAOYSA-N

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PDB entries

Showing all 2 items

PDB-7p8f:
Crystal structure of YTHDC1 with compound YLI_DC1_008

PDB-7z5m:
Crystal structure of YTHDF2 with compound YLI_DC1_008

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