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

Systemtic Name: 1,7-diphenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 1,7-diphenyl-2-thioxo-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 1,7-diphenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 1,7-diphenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 1,7-diphenyl-2-thioxo-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C20H13F6N4OS+ MolecularWeight: 471.398839

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[NH+]C(C3=C(N2)N(C(=S)NC3=O)C4=CC=CC=C4)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=[NH+]C(C3=C(N2)N(C(=S)NC3=O)C4=CC=CC=C4)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H12F6N4OS/c21-19(22,23)18(20(24,25)26)13-15(27-14(29-18)11-7-3-1-4-8-11)30(17(32)28-16(13)31)12-9-5-2-6-10-12/h1-10H,(H,27,29)(H,28,31,32)/p+1