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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methylsulfanyl]-6-morpholin-4-yl-quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methylsulfanyl]-6-morpholino-quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methylthio]-6-(4-morpholinyl)-4-quinazolinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methylsulfanyl]-6-morpholin-4-ylquinazolin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-6-morpholino-3-piperonyl-quinazolin-4-one Formula: C27H24FN3O4S MolecularWeight: 505.560563

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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)F

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC5=C(C=C4)OCO5)SCC6=CC=C(C=C6)F

InChI

InChI=1S/C27H24FN3O4S/c28-20-4-1-18(2-5-20)16-36-27-29-23-7-6-21(30-9-11-33-12-10-30)14-22(23)26(32)31(27)15-19-3-8-24-25(13-19)35-17-34-24/h1-8,13-14H,9-12,15-17H2