2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(oxolan-2-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(oxolan-2-ylmethyl)quinazolin-4-one Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4-one CAS Name: 2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]thio]-3-(2-oxolanylmethyl)-4-quinazolinone IUPAC Name: 2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]sulfanyl-3-(oxolan-2-ylmethyl)quinazolin-4-one Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]thio]-3-(tetrahydrofurfuryl)quinazolin-4-one Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC4=CC=CC=C4C(=O)N3CC5CCCO5

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC4=CC=CC=C4C(=O)N3CC5CCCO5

InChI

InChI=1S/C25H27N3O3S/c1-17(23(29)27-13-12-18-7-2-3-8-19(18)15-27)32-25-26-22-11-5-4-10-21(22)24(30)28(25)16-20-9-6-14-31-20/h2-5,7-8,10-11,17,20H,6,9,12-16H2,1H3