3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-morpholin-4-yl-quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-morpholin-4-yl-quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-6-morpholino-quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-6-(4-morpholinyl)-4-quinazolinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-morpholin-4-ylquinazolin-4-one Traditional Name: 2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]-6-morpholino-3-piperonyl-quinazolin-4-one Formula: C29H34N4O5S MolecularWeight: 550.66906

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC6=C(C=C5)OCO6)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC6=C(C=C5)OCO6)C

InChI

InChI=1S/C29H34N4O5S/c1-19-11-20(2)15-32(14-19)27(34)17-39-29-30-24-5-4-22(31-7-9-36-10-8-31)13-23(24)28(35)33(29)16-21-3-6-25-26(12-21)38-18-37-25/h3-6,12-13,19-20H,7-11,14-18H2,1-2H3