2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[[4-(ethylamino)-2-quinazolinyl]thio]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone IUPAC Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[[4-(ethylamino)quinazolin-2-yl]thio]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)N3CCCC4=C3C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)N3CCCC4=C3C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3S/c1-2-22-20-16-7-3-4-8-17(16)23-21(24-20)30-13-19(27)25-11-5-6-14-12-15(26(28)29)9-10-18(14)25/h3-4,7-10,12H,2,5-6,11,13H2,1H3,(H,22,23,24)