6-morpholin-4-yl-2-[(4-nitrophenyl)methylsulfanyl]-3-phenethyl-quinazolin-4-one

Systemtic Name: 6-morpholin-4-yl-2-[(4-nitrophenyl)methylsulfanyl]-3-phenethyl-quinazolin-4-one Openeye Name: 6-morpholino-2-[(4-nitrophenyl)methylsulfanyl]-3-phenethyl-quinazolin-4-one CAS Name: 6-(4-morpholinyl)-2-[(4-nitrophenyl)methylthio]-3-phenethyl-4-quinazolinone IUPAC Name: 6-morpholin-4-yl-2-[(4-nitrophenyl)methylsulfanyl]-3-phenethylquinazolin-4-one Traditional Name: 6-morpholino-2-[(4-nitrobenzyl)thio]-3-phenethyl-quinazolin-4-one Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CCC4=CC=CC=C4)SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CCC4=CC=CC=C4)SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O4S/c32-26-24-18-23(29-14-16-35-17-15-29)10-11-25(24)28-27(30(26)13-12-20-4-2-1-3-5-20)36-19-21-6-8-22(9-7-21)31(33)34/h1-11,18H,12-17,19H2