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

Systemtic Name: 3-(2-methylpropyl)-2-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-isobutyl-2-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(2-methylpropyl)-2-[[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(2-methylpropyl)-2-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-isobutyl-2-[[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]thio]quinazolin-4-one Formula: C22H22N4O2S MolecularWeight: 406.50068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)SC3=NC4=CC=CC=C4C(=O)N3CC(C)C

InChI

InChI=1S/C22H22N4O2S/c1-13(2)12-26-21(28)16-9-5-7-11-18(16)24-22(26)29-14(3)19-23-17-10-6-4-8-15(17)20(27)25-19/h4-11,13-14H,12H2,1-3H3,(H,23,25,27)/t14-/m1/s1