3-[6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-hexyl]-6-morpholino-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-[4-(4-fluorophenyl)-1-piperazinyl]-6-oxohexyl]-6-(4-morpholinyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-[4-(4-fluorophenyl)piperazino]-6-keto-hexyl]-6-morpholino-2-thioxo-1H-quinazolin-4-one Formula: C28H34FN5O3S MolecularWeight: 539.664663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)N5CCOCC5)NC3=S

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)N5CCOCC5)NC3=S

InChI

InChI=1S/C28H34FN5O3S/c29-21-5-7-22(8-6-21)31-12-14-33(15-13-31)26(35)4-2-1-3-11-34-27(36)24-20-23(32-16-18-37-19-17-32)9-10-25(24)30-28(34)38/h5-10,20H,1-4,11-19H2,(H,30,38)