3-(3,5-dimethylphenyl)-2-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]thio]quinazolin-4-one Formula: C26H22N4O2S MolecularWeight: 454.54348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C4=NC(=O)C5=CC=CC=C5N4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@H](C)C4=NC(=O)C5=CC=CC=C5N4)C

InChI

InChI=1S/C26H22N4O2S/c1-15-12-16(2)14-18(13-15)30-25(32)20-9-5-7-11-22(20)28-26(30)33-17(3)23-27-21-10-6-4-8-19(21)24(31)29-23/h4-14,17H,1-3H3,(H,27,29,31)/t17-/m1/s1