3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-2-phenacylsulfanyl-quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-2-phenacylsulfanyl-quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-morpholino-2-phenacylsulfanyl-quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-(4-morpholinyl)-2-(phenacylthio)-4-quinazolinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-2-phenacylsulfanylquinazolin-4-one Traditional Name: 6-morpholino-2-(phenacylthio)-3-piperonyl-quinazolin-4-one Formula: C28H25N3O5S MolecularWeight: 515.5802

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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)C6=CC=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3O5S/c32-24(20-4-2-1-3-5-20)17-37-28-29-23-8-7-21(30-10-12-34-13-11-30)15-22(23)27(33)31(28)16-19-6-9-25-26(14-19)36-18-35-25/h1-9,14-15H,10-13,16-18H2