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

Systemtic Name: 7-chloranyl-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-7-chloro-2-[2-(3,5-dimethyl-1-piperidyl)-1-methyl-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 7-chloro-2-[[1-(3,5-dimethyl-1-piperidinyl)-1-oxopropan-2-yl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 7-chloro-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-7-chloro-2-[[2-(3,5-dimethylpiperidino)-2-keto-1-methyl-ethyl]thio]quinazolin-4-one Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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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)N2CC=C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C(C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C)C

InChI

InChI=1S/C21H26ClN3O2S/c1-5-8-25-20(27)17-7-6-16(22)10-18(17)23-21(25)28-15(4)19(26)24-11-13(2)9-14(3)12-24/h5-7,10,13-15H,1,8-9,11-12H2,2-4H3