2-phenacylsulfanyl-6-(phenylmethyl)-5-propan-2-yl-1H-pyrimidin-4-one

Systemtic Name: 2-phenacylsulfanyl-6-(phenylmethyl)-5-propan-2-yl-1H-pyrimidin-4-one Openeye Name: 6-benzyl-5-isopropyl-2-phenacylsulfanyl-1H-pyrimidin-4-one CAS Name: 2-(phenacylthio)-6-(phenylmethyl)-5-propan-2-yl-1H-pyrimidin-4-one IUPAC Name: 6-benzyl-2-phenacylsulfanyl-5-propan-2-yl-1H-pyrimidin-4-one Traditional Name: 6-benzyl-5-isopropyl-2-(phenacylthio)-1H-pyrimidin-4-one Formula: C22H22N2O2S MolecularWeight: 378.48728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(NC(=NC1=O)SCC(=O)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(NC(=NC1=O)SCC(=O)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O2S/c1-15(2)20-18(13-16-9-5-3-6-10-16)23-22(24-21(20)26)27-14-19(25)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,23,24,26)