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- ChemComp-2WU: 6-amino-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one -

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Basic information

EntryDatabase: PDB chemical components / ID: 2WU
NameName: 6-amino-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

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Chemical information

Composition
Formula: C10H10N6O / Number of atoms: 27 / Formula weight: 230.226 / Formal charge: 0
Others

4pul

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2WU / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4PUL
History
Create componentMar 21, 2014
Initial releaseJul 16, 2014
External linksUniChem / ChemSpider / Brenda / ChEMBL / Nikkaji / PubChem / PubChem_TPharma / 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 12.01O=C2c3cc1nc(NC)nc1cc3N=C(N)N2
CACTVS 3.385CNc1[nH]c2cc3N=C(N)NC(=O)c3cc2n1
OpenEye OEToolkits 1.7.6CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)N

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SMILES CANONICAL

CACTVS 3.385CNc1[nH]c2cc3N=C(N)NC(=O)c3cc2n1
OpenEye OEToolkits 1.7.6CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)N

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InChI

InChI 1.03InChI=1S/C10H10N6O/c1-12-10-14-6-2-4-5(3-7(6)15-10)13-9(11)16-8(4)17/h2-3H,1H3,(H2,12,14,15)(H3,11,13,16,17)

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InChIKey

InChI 1.03MRAWGMPHZYODAJ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.016-amino-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
OpenEye OEToolkits 1.7.66-azanyl-2-(methylamino)-3,7-dihydroimidazo[4,5-g]quinazolin-8-one

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PDB entries

Showing all 3 items

PDB-4puk:
tRNA-Guanine Transglycosylase (TGT) in Complex with 6-Amino-2-(methylamino)-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one

PDB-4pul:
tRNA-Guanine Transglycosylase (TGT) Mutant D102N in Complex with 6-Amino-2-(methylamino)-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one

PDB-4pum:
tRNA-Guanine Transglycosylase (TGT) Mutant D156N in Complex with 6-Amino-2-(methylamino)-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one

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