3-(2-methylpropyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(2-methylpropyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-isobutyl-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(2-methylpropyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(2-methylpropyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-isobutyl-2-[(4-keto-1H-quinazolin-2-yl)methylthio]quinazolin-4-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H20N4O2S/c1-13(2)11-25-20(27)15-8-4-6-10-17(15)23-21(25)28-12-18-22-16-9-5-3-7-14(16)19(26)24-18/h3-10,13H,11-12H2,1-2H3,(H,22,24,26)