3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-morpholino-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-(4-morpholinyl)-2-[(4-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 6-morpholino-2-[(4-nitrobenzyl)thio]-3-piperonyl-quinazolin-4-one Formula: C27H24N4O6S MolecularWeight: 532.56766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC5=C(C=C4)OCO5)SCC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC5=C(C=C4)OCO5)SCC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C27H24N4O6S/c32-26-22-14-21(29-9-11-35-12-10-29)6-7-23(22)28-27(38-16-18-1-4-20(5-2-18)31(33)34)30(26)15-19-3-8-24-25(13-19)37-17-36-24/h1-8,13-14H,9-12,15-17H2