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- ChemComp-344: 6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE -

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Basic information

EntryDatabase: PDB chemical components / ID: 344
NameName: 6-amino-3,7-dihydro-imidazo[4,5-G]quinazolin-8-one

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Chemical information

Composition
Formula: C9H7N5O / Number of atoms: 22 / Formula weight: 201.185 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: 344
History
Create componentOct 18, 2005
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / 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=C1c3c(N=C(N)N1)cc2c(ncn2)c3
CACTVS 3.341NC1=Nc2cc3[nH]cnc3cc2C(=O)N1
OpenEye OEToolkits 1.5.0c1c2c(cc3c1nc[nH]3)N=C(NC2=O)N

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SMILES CANONICAL

CACTVS 3.341NC1=Nc2cc3[nH]cnc3cc2C(=O)N1
OpenEye OEToolkits 1.5.0c1c2c(cc3c1nc[nH]3)N=C(NC2=O)N

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InChI

InChI 1.03InChI=1S/C9H7N5O/c10-9-13-5-2-7-6(11-3-12-7)1-4(5)8(15)14-9/h1-3H,(H,11,12)(H3,10,13,14,15)

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InChIKey

InChI 1.03VQSMWFVKBKMHTO-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.046-amino-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
OpenEye OEToolkits 1.5.06-amino-3,7-dihydroimidazo[4,5-g]quinazolin-8-one

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PDB entries

Showing all 1 items

PDB-2bbf:
Crystal structure of tRNA-guanine transglycosylase (TGT) from Zymomonas mobilis in complex with 6-amino-3,7-dihydro-imidazo[4,5-g]quinazolin-8-one

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