4-(4-fluoranyl-2-methyl-phenyl)-2-methylsulfanyl-8-phenethyl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one

Systemtic Name: 4-(4-fluoranyl-2-methyl-phenyl)-2-methylsulfanyl-8-phenethyl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one Openeye Name: 4-(4-fluoro-2-methyl-phenyl)-2-methylsulfanyl-8-phenethyl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one CAS Name: 4-(4-fluoro-2-methylphenyl)-2-(methylthio)-8-phenethyl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one IUPAC Name: 4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-8-phenethyl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one Traditional Name: 4-(4-fluoro-2-methyl-phenyl)-2-(methylthio)-8-phenethyl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one Formula: C22H21FN4OS MolecularWeight: 408.491743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2=C3CNC(=O)N(C3=NC(=N2)SC)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2=C3CNC(=O)N(C3=NC(=N2)SC)CCC4=CC=CC=C4

InChI

InChI=1S/C22H21FN4OS/c1-14-12-16(23)8-9-17(14)19-18-13-24-22(28)27(20(18)26-21(25-19)29-2)11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,24,28)