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

Systemtic Name: 7-chloranyl-2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one Openeye Name: 7-chloro-2-[(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(2-furylmethyl)quinazolin-4-one CAS Name: 7-chloro-2-[[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]thio]-3-(2-furanylmethyl)-4-quinazolinone IUPAC Name: 7-chloro-2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]sulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one Traditional Name: 7-chloro-2-[[(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]thio]-3-(2-furfuryl)quinazolin-4-one Formula: C25H22ClN3O3S MolecularWeight: 479.97848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CO5

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C2C1)SC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CO5

InChI

InChI=1S/C25H22ClN3O3S/c1-16(23(30)28-11-10-17-5-2-3-6-18(17)14-28)33-25-27-22-13-19(26)8-9-21(22)24(31)29(25)15-20-7-4-12-32-20/h2-9,12-13,16H,10-11,14-15H2,1H3/t16-/m1/s1