2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(5-methylpyridin-2-yl)quinazolin-4-one

Systemtic Name: 2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(5-methylpyridin-2-yl)quinazolin-4-one Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(5-methyl-2-pyridyl)quinazolin-4-one CAS Name: 2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]thio]-3-(5-methyl-2-pyridinyl)-4-quinazolinone IUPAC Name: 2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]sulfanyl-3-(5-methylpyridin-2-yl)quinazolin-4-one Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]thio]-3-(5-methyl-2-pyridyl)quinazolin-4-one Formula: C26H24N4O2S MolecularWeight: 456.55936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H24N4O2S/c1-17-11-12-23(27-15-17)30-25(32)21-9-5-6-10-22(21)28-26(30)33-18(2)24(31)29-14-13-19-7-3-4-8-20(19)16-29/h3-12,15,18H,13-14,16H2,1-2H3