3-hexyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]quinazolin-4-one

Systemtic Name: 3-hexyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]quinazolin-4-one Openeye Name: 3-hexyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]quinazolin-4-one CAS Name: 3-hexyl-2-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]-4-quinazolinone IUPAC Name: 3-hexyl-2-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]quinazolin-4-one Traditional Name: 3-hexyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]quinazolin-4-one Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCCN3C(=NC=C3[N+](=O)[O-])C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCCN3C(=NC=C3[N+](=O)[O-])C

InChI

InChI=1S/C20H25N5O3S/c1-3-4-5-8-11-24-19(26)16-9-6-7-10-17(16)22-20(24)29-13-12-23-15(2)21-14-18(23)25(27)28/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3