2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[2-(3,5-dimethyl-1-piperidyl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[[1-(3,5-dimethyl-1-piperidinyl)-1-oxopropan-2-yl]thio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(3,5-dimethylpiperidino)-2-keto-1-methyl-ethyl]thio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCCO)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCCO)C

InChI

InChI=1S/C21H29N3O3S/c1-14-11-15(2)13-23(12-14)19(26)16(3)28-21-22-18-8-5-4-7-17(18)20(27)24(21)9-6-10-25/h4-5,7-8,14-16,25H,6,9-13H2,1-3H3