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- ChemComp-OQN: 6-amino-2-(methylamino)-4-phenethyl-1,7-dihydro-8H-imidazo[4,5-g]... -

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Basic information

EntryDatabase: PDB chemical components / ID: OQN
NameName: 6-amino-2-(methylamino)-4-phenethyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Synonyms: 6-azanyl-2-(methylamino)-4-(2-phenylethyl)-3,7-dihydroimidazo[4,5-g]quinazolin-8-one

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Chemical information

Composition
Formula: C18H18N6O / Number of atoms: 43 / Formula weight: 334.375 / Formal charge: 0
Others

6yh3

Type: non-polymer / PDB classification: HETAIN / Three letter code: OQN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6YH3
History
Create componentMar 30, 2020
Initial releaseApr 8, 2020
Modify synonymsMar 13, 2021
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

CACTVS 3.385CNc1[nH]c2c(CCc3ccccc3)c4N=C(N)NC(=O)c4cc2n1
OpenEye OEToolkits 2.0.7CNc1[nH]c2c(n1)cc3c(c2CCc4ccccc4)N=C(NC3=O)N

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SMILES CANONICAL

CACTVS 3.385CNc1[nH]c2c(CCc3ccccc3)c4N=C(N)NC(=O)c4cc2n1
OpenEye OEToolkits 2.0.7CNc1[nH]c2c(n1)cc3c(c2CCc4ccccc4)N=C(NC3=O)N

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InChI

InChI 1.03InChI=1S/C18H18N6O/c1-20-18-21-13-9-12-14(22-17(19)24-16(12)25)11(15(13)23-18)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,20,21,23)(H3,19,22,24,25)

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InChIKey

InChI 1.03WJCDAOMLVZDAIC-UHFFFAOYSA-N

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PDB entries

Showing all 2 items

PDB-6yh3:
tRNA-Guanine Transglycosylase (TGT) in co-crystallized complex with 6-amino-2-(methylamino)-4-phenethyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

PDB-6yiq:
tRNA-Guanine Transglycosylase (TGT) in co-crystallized complex (P2) with 6-amino-2-(methylamino)-4-phenethyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

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