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- ChemComp-ICP: 2-METHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE -

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Basic information

EntryDatabase: PDB chemical components / ID: ICP
NameName: 2-methyl-5-methylene-5H-pyrimidin-4-ylideneamine / Synonyms: 4-IMINO-5-METHIDYL-2-METHYLPYRIMIDINE

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Chemical information

Composition
Formula: C6H7N3 / Number of atoms: 16 / Formula weight: 121.14 / Formal charge: 0
Others

1g67

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ICP / Model coordinates PDB-ID: 1G67
History
Create componentNov 16, 2000
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / CompTox / DrugBank / 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

ACDLabs 10.04[N@H]=C/1N=C(N=CC\1=C)C
CACTVS 3.341CC1=NC(=N)C(=C)C=N1
OpenEye OEToolkits 1.5.0CC1=NC(=N)C(=C)C=N1

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SMILES CANONICAL

CACTVS 3.341CC1=NC(=N)C(=C)C=N1
OpenEye OEToolkits 1.5.0CC1=NC(=N)C(=C)C=N1

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InChI

InChI 1.03InChI=1S/C6H7N3/c1-4-3-8-5(2)9-6(4)7/h3,7H,1H2,2H3

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InChIKey

InChI 1.03AXFPKNUSOMMYRV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(4Z)-2-methyl-5-methylidenepyrimidin-4(5H)-imine
OpenEye OEToolkits 1.5.02-methyl-5-methylidene-pyrimidin-4-imine

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PDB entries

Showing all 2 items

PDB-1g67:
THIAMIN PHOSPHATE SYNTHASE

PDB-1g69:
THIAMIN PHOSPHATE SYNTHASE

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