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

Systemtic Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-morpholin-4-yl-3-phenethyl-quinazolin-4-one Openeye Name: 2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-6-morpholino-3-phenethyl-quinazolin-4-one CAS Name: 2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-6-(4-morpholinyl)-3-phenethyl-4-quinazolinone IUPAC Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-morpholin-4-yl-3-phenethylquinazolin-4-one Traditional Name: 2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]-6-morpholino-3-phenethyl-quinazolin-4-one Formula: C29H36N4O3S MolecularWeight: 520.68614

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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)N2CCC5=CC=CC=C5)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CCC5=CC=CC=C5)C

InChI

InChI=1S/C29H36N4O3S/c1-21-16-22(2)19-32(18-21)27(34)20-37-29-30-26-9-8-24(31-12-14-36-15-13-31)17-25(26)28(35)33(29)11-10-23-6-4-3-5-7-23/h3-9,17,21-22H,10-16,18-20H2,1-2H3