2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholino-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide Traditional Name: N-(4-fluorophenyl)-2-[(4-keto-6-morpholino-3-piperonyl-quinazolin-2-yl)thio]acetamide Formula: C28H25FN4O5S MolecularWeight: 548.585303

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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)SCC(=O)NC6=CC=C(C=C6)F

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC5=C(C=C4)OCO5)SCC(=O)NC6=CC=C(C=C6)F

InChI

InChI=1S/C28H25FN4O5S/c29-19-2-4-20(5-3-19)30-26(34)16-39-28-31-23-7-6-21(32-9-11-36-12-10-32)14-22(23)27(35)33(28)15-18-1-8-24-25(13-18)38-17-37-24/h1-8,13-14H,9-12,15-17H2,(H,30,34)