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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(3-fluorophenyl)methylsulfanyl]-6-morpholin-4-yl-quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(3-fluorophenyl)methylsulfanyl]-6-morpholino-quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(3-fluorophenyl)methylthio]-6-(4-morpholinyl)-4-quinazolinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(3-fluorophenyl)methylsulfanyl]-6-morpholin-4-ylquinazolin-4-one Traditional Name: 2-[(3-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(=CC=C6)F

Isomeric SMILES

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

InChI

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