2-methylsulfanyl-4-phenyl-8-(1-phenylethyl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one

Systemtic Name: 2-methylsulfanyl-4-phenyl-8-(1-phenylethyl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one Openeye Name: 2-methylsulfanyl-4-phenyl-8-(1-phenylethyl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one CAS Name: 2-(methylthio)-4-phenyl-8-(1-phenylethyl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one IUPAC Name: 2-methylsulfanyl-4-phenyl-8-(1-phenylethyl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one Traditional Name: 2-(methylthio)-4-phenyl-8-(1-phenylethyl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one Formula: C21H20N4OS MolecularWeight: 376.4747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C3=NC(=NC(=C3CNC2=O)C4=CC=CC=C4)SC

Isomeric SMILES

CC(C1=CC=CC=C1)N2C3=NC(=NC(=C3CNC2=O)C4=CC=CC=C4)SC

InChI

InChI=1S/C21H20N4OS/c1-14(15-9-5-3-6-10-15)25-19-17(13-22-21(25)26)18(23-20(24-19)27-2)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,22,26)