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

Systemtic Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(5-methylpyridin-2-yl)quinazolin-4-one Openeye Name: 2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(5-methyl-2-pyridyl)quinazolin-4-one CAS Name: 2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-3-(5-methyl-2-pyridinyl)-4-quinazolinone IUPAC Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(5-methylpyridin-2-yl)quinazolin-4-one Traditional Name: 2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]-3-(5-methyl-2-pyridyl)quinazolin-4-one Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=C(C=C4)C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=C(C=C4)C)C

InChI

InChI=1S/C23H26N4O2S/c1-15-8-9-20(24-11-15)27-22(29)18-6-4-5-7-19(18)25-23(27)30-14-21(28)26-12-16(2)10-17(3)13-26/h4-9,11,16-17H,10,12-14H2,1-3H3