1-(2-methylprop-2-enyl)-7-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 1-(2-methylprop-2-enyl)-7-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 1-(2-methylallyl)-7-phenyl-2-thioxo-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 1-(2-methylprop-2-enyl)-7-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 1-(2-methylprop-2-enyl)-7-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 1-(2-methylallyl)-7-phenyl-2-thioxo-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-4-one Formula: C18H14F6N4OS MolecularWeight: 448.385379

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(C(=O)NC1=S)C(N=C(N2)C3=CC=CC=C3)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(=C)CN1C2=C(C(=O)NC1=S)C(N=C(N2)C3=CC=CC=C3)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H14F6N4OS/c1-9(2)8-28-13-11(14(29)26-15(28)30)16(17(19,20)21,18(22,23)24)27-12(25-13)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3,(H,25,27)(H,26,29,30)