N-ethyl-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanyl-quinazolin-4-amine

Systemtic Name: N-ethyl-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanyl-quinazolin-4-amine Openeye Name: N-ethyl-2-(4-morpholinosulfonyl-2-nitro-phenyl)sulfanyl-quinazolin-4-amine CAS Name: N-ethyl-2-[[4-(4-morpholinylsulfonyl)-2-nitrophenyl]thio]-4-quinazolinamine IUPAC Name: N-ethyl-2-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)sulfanylquinazolin-4-amine Traditional Name: ethyl-[2-[(4-morpholinosulfonyl-2-nitro-phenyl)thio]quinazolin-4-yl]amine Formula: C20H21N5O5S2 MolecularWeight: 475.54124

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5S2/c1-2-21-19-15-5-3-4-6-16(15)22-20(23-19)31-18-8-7-14(13-17(18)25(26)27)32(28,29)24-9-11-30-12-10-24/h3-8,13H,2,9-12H2,1H3,(H,21,22,23)