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- ChemComp-P0W: 6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{H}-pyri... -

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Basic information

EntryDatabase: PDB chemical components / ID: P0W
NameName: 6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione

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Chemical information

Composition
Formula: C16H17N5O2 / Number of atoms: 40 / Formula weight: 311.338 / Formal charge: 0
Others

6yno

Type: non-polymer / PDB classification: HETAIN / Three letter code: P0W / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6YNO
History
Create componentApr 14, 2020
Initial releaseJul 15, 2020
External linksUniChem / ChemSpider / 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 3.385CN(CC1=CC(=O)NC(=O)N1)Cc2ccn(n2)c3ccccc3
OpenEye OEToolkits 2.0.7CN(Cc1ccn(n1)c2ccccc2)CC3=CC(=O)NC(=O)N3

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SMILES CANONICAL

CACTVS 3.385CN(CC1=CC(=O)NC(=O)N1)Cc2ccn(n2)c3ccccc3
OpenEye OEToolkits 2.0.7CN(Cc1ccn(n1)c2ccccc2)CC3=CC(=O)NC(=O)N3

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InChI

InChI 1.03InChI=1S/C16H17N5O2/c1-20(11-13-9-15(22)18-16(23)17-13)10-12-7-8-21(19-12)14-5-3-2-4-6-14/h2-9H,10-11H2,1H3,(H2,17,18,22,23)

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InChIKey

InChI 1.03QEPPSXRODAKRSU-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6yno:
Crystal structure of YTHDC1 with compound DHU_DC1_139

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