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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H20N4O2S/c1-3-13(2)25-20(27)15-9-5-7-11-17(15)23-21(25)28-12-18-22-16-10-6-4-8-14(16)19(26)24-18/h4-11,13H,3,12H2,1-2H3,(H,22,24,26)/t13-/m0/s1