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- ChemComp-M6N: 2-methyl-3~{H}-pyrido[3,4-d]pyrimidin-4-one -

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Basic information

EntryDatabase: PDB chemical components / ID: M6N
NameName: 2-methyl-3~{H}-pyrido[3,4-d]pyrimidin-4-one

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Chemical information

Composition
Formula: C8H7N3O / Number of atoms: 19 / Formula weight: 161.161 / Formal charge: 0
Others

6t0o

Type: non-polymer / PDB classification: HETAIN / Three letter code: M6N / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6T0O
History
Create componentOct 3, 2019
Initial releaseMar 4, 2020
External linksUniChem / ChemSpider / CompTox / PubChem / 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

CACTVS 3.385CC1=Nc2cnccc2C(=O)N1
OpenEye OEToolkits 2.0.7CC1=Nc2cnccc2C(=O)N1

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SMILES CANONICAL

CACTVS 3.385CC1=Nc2cnccc2C(=O)N1
OpenEye OEToolkits 2.0.7CC1=Nc2cnccc2C(=O)N1

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InChI

InChI 1.03InChI=1S/C8H7N3O/c1-5-10-7-4-9-3-2-6(7)8(12)11-5/h2-4H,1H3,(H,10,11,12)

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InChIKey

InChI 1.03ZZGGQKRBGZEHKC-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6t0o:
Crystal structure of YTHDC1 with fragment 14 (ACA_DC1_004)

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