1-[[5-[(4-azanylquinazolin-2-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one

Systemtic Name: 1-[[5-[(4-azanylquinazolin-2-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-[(4-amino-2-quinazolinyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[(4-aminoquinazolin-2-yl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C20H25N7OS MolecularWeight: 411.5238

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=N2)N)CN4CCCCCC4=O

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=N2)N)CN4CCCCCC4=O

InChI

InChI=1S/C20H25N7OS/c1-2-27-17(12-26-11-7-3-4-10-18(26)28)24-25-20(27)29-13-16-22-15-9-6-5-8-14(15)19(21)23-16/h5-6,8-9H,2-4,7,10-13H2,1H3,(H2,21,22,23)