3-cyclopentyl-2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-cyclopentyl-2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-cyclopentyl-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-cyclopentyl-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-cyclopentyl-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-cyclopentyl-2-[(4-keto-8-methyl-1H-quinazolin-2-yl)methylthio]quinazolin-4-one Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NC4=CC=CC=C4C(=O)N3C5CCCC5

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NC4=CC=CC=C4C(=O)N3C5CCCC5

InChI

InChI=1S/C23H22N4O2S/c1-14-7-6-11-17-20(14)25-19(26-21(17)28)13-30-23-24-18-12-5-4-10-16(18)22(29)27(23)15-8-2-3-9-15/h4-7,10-12,15H,2-3,8-9,13H2,1H3,(H,25,26,28)