2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-3-(4-methylpyridin-2-yl)quinazolin-4-one

Systemtic Name: 2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-3-(4-methylpyridin-2-yl)quinazolin-4-one Openeye Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-3-(4-methyl-2-pyridyl)quinazolin-4-one CAS Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-3-(4-methyl-2-pyridinyl)-4-quinazolinone IUPAC Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-3-(4-methylpyridin-2-yl)quinazolin-4-one Traditional Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-3-(4-methyl-2-pyridyl)quinazolin-4-one Formula: C23H18ClN3O3S MolecularWeight: 451.92532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC5=C(C(=C4)Cl)OCCO5

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC5=C(C(=C4)Cl)OCCO5

InChI

InChI=1S/C23H18ClN3O3S/c1-14-6-7-25-20(10-14)27-22(28)16-4-2-3-5-18(16)26-23(27)31-13-15-11-17(24)21-19(12-15)29-8-9-30-21/h2-7,10-12H,8-9,13H2,1H3