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

Systemtic Name: 3-[(2S)-butan-2-yl]-2-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-[(1S)-1-methylpropyl]-2-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-[(2S)-butan-2-yl]-2-[[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-[(2S)-butan-2-yl]-2-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]thio]-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=C1SC(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H22N4O2S/c1-4-13(2)26-21(28)16-10-6-8-12-18(16)24-22(26)29-14(3)19-23-17-11-7-5-9-15(17)20(27)25-19/h5-14H,4H2,1-3H3,(H,23,25,27)/t13-,14+/m0/s1