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

Systemtic Name: 1-phenethyl-7-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 1-phenethyl-7-phenyl-2-thioxo-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 1-phenethyl-7-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 1-phenethyl-7-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 1-phenethyl-7-phenyl-2-thioxo-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-4-one Formula: C22H16F6N4OS MolecularWeight: 498.444059

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C(=O)NC2=S)C(N=C(N3)C4=CC=CC=C4)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C(=O)NC2=S)C(N=C(N3)C4=CC=CC=C4)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C22H16F6N4OS/c23-21(24,25)20(22(26,27)28)15-17(29-16(31-20)14-9-5-2-6-10-14)32(19(34)30-18(15)33)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,29,31)(H,30,33,34)