7-phenyl-1-(phenylmethyl)-2-sulfanylidene-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-4-one

Systemtic Name: 7-phenyl-1-(phenylmethyl)-2-sulfanylidene-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 1-benzyl-7-phenyl-2-thioxo-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 7-phenyl-1-(phenylmethyl)-2-sulfanylidene-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 1-benzyl-7-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 1-benzyl-7-phenyl-2-thioxo-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C21H15F6N4OS+ MolecularWeight: 485.425419

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=S)C([NH+]=C(N3)C4=CC=CC=C4)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=S)C([NH+]=C(N3)C4=CC=CC=C4)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H14F6N4OS/c22-20(23,24)19(21(25,26)27)14-16(28-15(30-19)13-9-5-2-6-10-13)31(18(33)29-17(14)32)11-12-7-3-1-4-8-12/h1-10H,11H2,(H,28,30)(H,29,32,33)/p+1