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- ChemComp-IHR: ~{N}-cyclopropyl-3-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: IHR
NameName: ~{N}-cyclopropyl-3-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine

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Chemical information

Composition
Formula: C9H11N5 / Number of atoms: 25 / Formula weight: 189.217 / Formal charge: 0
Others

7z8w

Type: non-polymer / PDB classification: HETAIN / Three letter code: IHR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7Z8W
History
Create componentMar 21, 2022
Initial releaseMar 30, 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 3.385Cc1[nH]nc2c(NC3CC3)ncnc12
OpenEye OEToolkits 2.0.7Cc1c2c(c(ncn2)NC3CC3)n[nH]1

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SMILES CANONICAL

CACTVS 3.385Cc1[nH]nc2c(NC3CC3)ncnc12
OpenEye OEToolkits 2.0.7Cc1c2c(c(ncn2)NC3CC3)n[nH]1

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InChI

InChI 1.06InChI=1S/C9H11N5/c1-5-7-8(14-13-5)9(11-4-10-7)12-6-2-3-6/h4,6H,2-3H2,1H3,(H,13,14)(H,10,11,12)

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InChIKey

InChI 1.06CTRMXAARLMLINT-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7z8w:
Crystal structure of YTHDF2 with compound YLI_DC1_018

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