4-[[4-[(1S)-1-(3-nitrophenyl)ethyl]sulfanylquinazolin-2-yl]methyl]morpholine

Systemtic Name: 4-[[4-[(1S)-1-(3-nitrophenyl)ethyl]sulfanylquinazolin-2-yl]methyl]morpholine Openeye Name: 4-[[4-[(1S)-1-(3-nitrophenyl)ethyl]sulfanylquinazolin-2-yl]methyl]morpholine CAS Name: 4-[[4-[[(1S)-1-(3-nitrophenyl)ethyl]thio]-2-quinazolinyl]methyl]morpholine IUPAC Name: 4-[[4-[(1S)-1-(3-nitrophenyl)ethyl]sulfanylquinazolin-2-yl]methyl]morpholine Traditional Name: 4-[[4-[[(1S)-1-(3-nitrophenyl)ethyl]thio]quinazolin-2-yl]methyl]morpholine Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

InChI

InChI=1S/C21H22N4O3S/c1-15(16-5-4-6-17(13-16)25(26)27)29-21-18-7-2-3-8-19(18)22-20(23-21)14-24-9-11-28-12-10-24/h2-8,13,15H,9-12,14H2,1H3/t15-/m0/s1