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- ChemComp-K7H: ~{N}2-methyl-7,8-dihydro-3~{H}-imidazo[4,5-g]quinazoline-2,6-diamine -

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Basic information

EntryDatabase: PDB chemical components / ID: K7H
NameName: ~{N}2-methyl-7,8-dihydro-3~{H}-imidazo[4,5-g]quinazoline-2,6-diamine

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Chemical information

Composition
Formula: C10H12N6 / Number of atoms: 28 / Formula weight: 216.242 / Formal charge: 0
Others

6rkt

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: K7H / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6RKT
History
Create componentMay 1, 2019
Initial releaseJun 3, 2020
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]c2cc3N=C(N)NCc3cc2n1
OpenEye OEToolkits 2.0.7CNc1[nH]c2cc3c(cc2n1)CNC(=N3)N

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SMILES CANONICAL

CACTVS 3.385CNc1[nH]c2cc3N=C(N)NCc3cc2n1
OpenEye OEToolkits 2.0.7CNc1[nH]c2cc3c(cc2n1)CNC(=N3)N

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InChI

InChI 1.03InChI=1S/C10H12N6/c1-12-10-15-7-2-5-4-13-9(11)14-6(5)3-8(7)16-10/h2-3H,4H2,1H3,(H3,11,13,14)(H2,12,15,16)

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InChIKey

InChI 1.03WOZSIFRDDMKMGG-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6rkt:
Crystal Structure of TGT in complex with N2-methyl-1H,7H,8H-imidazo[4,5-g]quinazoline-2,6-diamine

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