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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-2-(1-morpholin-4-yl-1-oxidanylidene-butan-2-yl)sulfanyl-quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[1-(morpholine-4-carbonyl)propylsulfanyl]-6-morpholino-quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-(4-morpholinyl)-2-[[1-(4-morpholinyl)-1-oxobutan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylquinazolin-4-one Traditional Name: 2-[1-(morpholine-4-carbonyl)propylthio]-6-morpholino-3-piperonyl-quinazolin-4-one Formula: C28H32N4O6S MolecularWeight: 552.64188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCOCC1)SC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCC(C(=O)N1CCOCC1)SC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H32N4O6S/c1-2-25(27(34)31-9-13-36-14-10-31)39-28-29-22-5-4-20(30-7-11-35-12-8-30)16-21(22)26(33)32(28)17-19-3-6-23-24(15-19)38-18-37-23/h3-6,15-16,25H,2,7-14,17-18H2,1H3