6-phenethyl-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 6-phenethyl-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 6-phenethyl-2-thioxo-1-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 6-phenethyl-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 6-phenethyl-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 6-phenethyl-2-thioxo-1-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Formula: C21H19F3N4OS MolecularWeight: 432.46197

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(NCN1CCC3=CC=CC=C3)N(C(=S)NC2=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1C2=C(NCN1CCC3=CC=CC=C3)N(C(=S)NC2=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H19F3N4OS/c22-21(23,24)15-7-4-8-16(11-15)28-18-17(19(29)26-20(28)30)12-27(13-25-18)10-9-14-5-2-1-3-6-14/h1-8,11,25H,9-10,12-13H2,(H,26,29,30)