2-[4-[2-[2-(1-methyl-5-nitro-imidazol-2-yl)quinazolin-4-yl]sulfanylethyl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[2-[2-(1-methyl-5-nitro-imidazol-2-yl)quinazolin-4-yl]sulfanylethyl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[2-[2-(1-methyl-5-nitro-imidazol-2-yl)quinazolin-4-yl]sulfanylethyl]piperazin-1-yl]ethanol CAS Name: 2-[4-[2-[[2-(1-methyl-5-nitro-2-imidazolyl)-4-quinazolinyl]thio]ethyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[2-[2-(1-methyl-5-nitroimidazol-2-yl)quinazolin-4-yl]sulfanylethyl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[2-[[2-(1-methyl-5-nitro-imidazol-2-yl)quinazolin-4-yl]thio]ethyl]piperazino]ethanol Formula: C20H25N7O3S MolecularWeight: 443.5226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C2=NC3=CC=CC=C3C(=N2)SCCN4CCN(CC4)CCO)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C2=NC3=CC=CC=C3C(=N2)SCCN4CCN(CC4)CCO)[N+](=O)[O-]

InChI

InChI=1S/C20H25N7O3S/c1-24-17(27(29)30)14-21-19(24)18-22-16-5-3-2-4-15(16)20(23-18)31-13-11-26-8-6-25(7-9-26)10-12-28/h2-5,14,28H,6-13H2,1H3