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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

Isomeric SMILES

C[C@H]1CCCCN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

InChI

InChI=1S/C22H24N4O2S/c1-16-7-4-5-12-25(16)20(27)15-29-22-24-19-10-3-2-9-18(19)21(28)26(22)14-17-8-6-11-23-13-17/h2-3,6,8-11,13,16H,4-5,7,12,14-15H2,1H3/t16-/m0/s1