N,N-diethyl-2-[2-(1-methyl-5-nitro-imidazol-2-yl)quinazolin-4-yl]sulfanyl-ethanamine

Systemtic Name: N,N-diethyl-2-[2-(1-methyl-5-nitro-imidazol-2-yl)quinazolin-4-yl]sulfanyl-ethanamine Openeye Name: N,N-diethyl-2-[2-(1-methyl-5-nitro-imidazol-2-yl)quinazolin-4-yl]sulfanyl-ethanamine CAS Name: N,N-diethyl-2-[[2-(1-methyl-5-nitro-2-imidazolyl)-4-quinazolinyl]thio]ethanamine IUPAC Name: N,N-diethyl-2-[2-(1-methyl-5-nitroimidazol-2-yl)quinazolin-4-yl]sulfanylethanamine Traditional Name: diethyl-[2-[[2-(1-methyl-5-nitro-imidazol-2-yl)quinazolin-4-yl]thio]ethyl]amine Formula: C18H22N6O2S MolecularWeight: 386.47128

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=NC(=NC2=CC=CC=C21)C3=NC=C(N3C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCSC1=NC(=NC2=CC=CC=C21)C3=NC=C(N3C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O2S/c1-4-23(5-2)10-11-27-18-13-8-6-7-9-14(13)20-16(21-18)17-19-12-15(22(17)3)24(25)26/h6-9,12H,4-5,10-11H2,1-3H3