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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

InChI

InChI=1S/C22H24N4O2S/c1-16-6-5-11-25(13-16)20(27)15-29-22-24-19-9-3-2-8-18(19)21(28)26(22)14-17-7-4-10-23-12-17/h2-4,7-10,12,16H,5-6,11,13-15H2,1H3