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- ChemComp-S60: 6-amino-2-methyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one -

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Basic information

EntryDatabase: PDB chemical components / ID: S60
NameName: 6-amino-2-methyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Synonyms: 2-methyl-lin-Benzoguanine

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Chemical information

Composition
Formula: C10H9N5O / Number of atoms: 25 / Formula weight: 215.211 / Formal charge: 0
Others

3c2y

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: S60 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3C2Y
History
Create componentJan 31, 2008
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Brenda / ChEMBL / DrugBank / Nikkaji / PubChem / PubChem_TPharma / 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)cc2nc(nc2c3)C
CACTVS 3.341Cc1[nH]c2cc3C(=O)NC(=Nc3cc2n1)N
OpenEye OEToolkits 1.5.0Cc1[nH]c2cc3c(cc2n1)N=C(NC3=O)N

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SMILES CANONICAL

CACTVS 3.341Cc1[nH]c2cc3C(=O)NC(=Nc3cc2n1)N
OpenEye OEToolkits 1.5.0Cc1[nH]c2cc3c(cc2n1)N=C(NC3=O)N

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InChI

InChI 1.03InChI=1S/C10H9N5O/c1-4-12-7-2-5-6(3-8(7)13-4)14-10(11)15-9(5)16/h2-3H,1H3,(H,12,13)(H3,11,14,15,16)

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InChIKey

InChI 1.03PLJNUNPYZVVIRA-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.046-amino-2-methyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
OpenEye OEToolkits 1.5.06-amino-2-methyl-1,7-dihydropyrimido[6,5-f]benzimidazol-8-one

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PDB entries

Showing all 1 items

PDB-3c2y:
tRNA-Guanine Transglycosylase (TGT) in complex with 6-Amino-2-methyl-1,7-dihydro-imidazo[4,5-g]quinazolin-8-one

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