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- ChemComp-7GG: 6-[(~{Z})-2-(diethylamino)ethenyl]-~{N}-phenyl-7~{H}-purin-2-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: 7GG
NameName: 6-[(~{Z})-2-(diethylamino)ethenyl]-~{N}-phenyl-7~{H}-purin-2-amine

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Chemical information

Composition
Formula: C17H20N6 / Number of atoms: 43 / Formula weight: 308.381 / Formal charge: 0
Others

5m55

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 7GG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5M55
History
Create componentOct 20, 2016
Initial releaseNov 2, 2016
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 3.385CCN(CC)C=Cc1nc(Nc2ccccc2)nc3nc[nH]c13
OpenEye OEToolkits 2.0.6CCN(CC)C=Cc1c2c(nc[nH]2)nc(n1)Nc3ccccc3

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SMILES CANONICAL

CACTVS 3.385CCN(CC)\C=C/c1nc(Nc2ccccc2)nc3nc[nH]c13
OpenEye OEToolkits 2.0.6CCN(CC)/C=C\c1c2c(nc[nH]2)nc(n1)Nc3ccccc3

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InChI

InChI 1.03InChI=1S/C17H20N6/c1-3-23(4-2)11-10-14-15-16(19-12-18-15)22-17(21-14)20-13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H2,18,19,20,21,22)/b11-10-

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InChIKey

InChI 1.03SHKLUCMYFCYADL-KHPPLWFESA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.66-[(~{Z})-2-(diethylamino)ethenyl]-~{N}-phenyl-7~{H}-purin-2-amine

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PDB entries

Showing all 1 items

PDB-5m55:
Nek2 bound to arylaminopurine 71

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