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

Systemtic Name: 7-chloranyl-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one Openeye Name: 7-chloro-2-[2-(3,5-dimethyl-1-piperidyl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one CAS Name: 7-chloro-2-[[1-(3,5-dimethyl-1-piperidinyl)-1-oxopropan-2-yl]thio]-3-(2-methoxyethyl)-4-quinazolinone IUPAC Name: 7-chloro-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one Traditional Name: 7-chloro-2-[[2-(3,5-dimethylpiperidino)-2-keto-1-methyl-ethyl]thio]-3-(2-methoxyethyl)quinazolin-4-one Formula: C21H28ClN3O3S MolecularWeight: 437.98332

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C(C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C(C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC)C

InChI

InChI=1S/C21H28ClN3O3S/c1-13-9-14(2)12-24(11-13)19(26)15(3)29-21-23-18-10-16(22)5-6-17(18)20(27)25(21)7-8-28-4/h5-6,10,13-15H,7-9,11-12H2,1-4H3