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- ChemComp-IPZ: 2-ISOPROPYL-3-METHOXYPYRAZINE -

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Basic information

EntryDatabase: PDB chemical components / ID: IPZ
NameName: 2-isopropyl-3-methoxypyrazine / Synonyms: 2-METHOXY-3-ISOPROPYLPYRAZINE

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Chemical information

Composition
Formula: C8H12N2O / Number of atoms: 23 / Formula weight: 152.194 / Formal charge: 0
Others

1qy2

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: IPZ / Model coordinates PDB-ID: 1QY2
History
Create componentSep 16, 2003
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / 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

ACDLabs 10.04O(c1nccnc1C(C)C)C
CACTVS 3.341COc1nccnc1C(C)C
OpenEye OEToolkits 1.5.0CC(C)c1c(nccn1)OC

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SMILES CANONICAL

CACTVS 3.341COc1nccnc1C(C)C
OpenEye OEToolkits 1.5.0CC(C)c1c(nccn1)OC

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InChI

InChI 1.03InChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3

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InChIKey

InChI 1.03NTOPKICPEQUPPH-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-methoxy-3-(1-methylethyl)pyrazine
OpenEye OEToolkits 1.5.02-methoxy-3-propan-2-yl-pyrazine

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PDB entries

Showing all 1 items

PDB-1qy2:
Thermodynamics of Binding of 2-methoxy-3-isopropylpyrazine and 2-methoxy-3-isobutylpyrazine to the Major Urinary Protein

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