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

Systemtic Name: 3-[(2S)-butan-2-yl]-2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-[(1S)-1-methylpropyl]quinazolin-4-one CAS Name: 3-[(2S)-butan-2-yl]-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-[(2S)-butan-2-yl]-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(4-keto-8-methyl-1H-quinazolin-2-yl)methylthio]-3-[(1S)-1-methylpropyl]quinazolin-4-one Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C(=CC=C4)C

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C(=CC=C4)C

InChI

InChI=1S/C22H22N4O2S/c1-4-14(3)26-21(28)15-9-5-6-11-17(15)23-22(26)29-12-18-24-19-13(2)8-7-10-16(19)20(27)25-18/h5-11,14H,4,12H2,1-3H3,(H,24,25,27)/t14-/m0/s1