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- ChemComp-SQO: 2-{[2-(4-Morpholinyl)ethyl]amino}-1,7-dihydro-8H-imidazo[4,5-g]qu... -

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Basic information

EntryDatabase: PDB chemical components / ID: SQO
NameName: 2-{[2-(4-Morpholinyl)ethyl]amino}-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

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Chemical information

Composition
Formula: C15H18N6O2 / Number of atoms: 41 / Formula weight: 314.342 / Formal charge: 0
Others

3gfn
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: SQO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3GFN
History
Create componentMar 4, 2009
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ChEMBL / Nikkaji / 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

ACDLabs 10.04O=C1c2cc3nc(nc3cc2N=CN1)NCCN4CCOCC4
CACTVS 3.341O=C1NC=Nc2cc3nc(NCCN4CCOCC4)[nH]c3cc12
OpenEye OEToolkits 1.5.0c1c2c(cc3c1[nH]c(n3)NCCN4CCOCC4)N=CNC2=O

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SMILES CANONICAL

CACTVS 3.341O=C1NC=Nc2cc3nc(NCCN4CCOCC4)[nH]c3cc12
OpenEye OEToolkits 1.5.0c1c2c(cc3c1[nH]c(n3)NCCN4CCOCC4)N=CNC2=O

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InChI

InChI 1.03InChI=1S/C15H18N6O2/c22-14-10-7-12-13(8-11(10)17-9-18-14)20-15(19-12)16-1-2-21-3-5-23-6-4-21/h7-9H,1-6H2,(H2,16,19,20)(H,17,18,22)

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InChIKey

InChI 1.03IQPSZZDLHUVVGO-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-[(2-morpholin-4-ylethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
OpenEye OEToolkits 1.5.02-(2-morpholin-4-ylethylamino)-1,7-dihydropyrimido[6,5-f]benzimidazol-8-one

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PDB entries

Showing all 1 items

PDB-4q4r:
tRNA-Guanine Transglycosylase (TGT) in Complex with 2-{[2-(Morpholin-4-yl)ethyl]amino}-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one

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