2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(3-methylpyridin-2-yl)quinazolin-4-one

Systemtic Name: 2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(3-methylpyridin-2-yl)quinazolin-4-one Openeye Name: 2-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-3-(3-methyl-2-pyridyl)quinazolin-4-one CAS Name: 2-[[2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl]thio]-3-(3-methyl-2-pyridinyl)-4-quinazolinone IUPAC Name: 2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-(3-methylpyridin-2-yl)quinazolin-4-one Traditional Name: 2-[[2-keto-2-[(2S)-2-methylpiperidino]ethyl]thio]-3-(3-methyl-2-pyridyl)quinazolin-4-one Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC=N4)C

Isomeric SMILES

C[C@H]1CCCCN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC=N4)C

InChI

InChI=1S/C22H24N4O2S/c1-15-8-7-12-23-20(15)26-21(28)17-10-3-4-11-18(17)24-22(26)29-14-19(27)25-13-6-5-9-16(25)2/h3-4,7-8,10-12,16H,5-6,9,13-14H2,1-2H3/t16-/m0/s1