3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-pyridylmethylsulfanyl)quinazolin-4-one CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-pyridinylmethylthio)-4-quinazolinone IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-pyridylmethylthio)quinazolin-4-one Formula: C23H19N3O3S MolecularWeight: 417.48026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CN3C(=O)C4=CC=CC=C4N=C3SCC5=CN=CC=C5

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CN3C(=O)C4=CC=CC=C4N=C3SCC5=CN=CC=C5

InChI

InChI=1S/C23H19N3O3S/c27-22-18-7-1-2-8-19(18)25-23(30-15-16-6-5-11-24-12-16)26(22)13-17-14-28-20-9-3-4-10-21(20)29-17/h1-12,17H,13-15H2