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

Systemtic Name: 7-phenyl-1-(pyridin-4-ylmethyl)-2-sulfanylidene-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 7-phenyl-1-(4-pyridylmethyl)-2-thioxo-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 7-phenyl-1-(pyridin-4-ylmethyl)-2-sulfanylidene-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 7-phenyl-1-(pyridin-4-ylmethyl)-2-sulfanylidene-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 7-phenyl-1-(4-pyridylmethyl)-2-thioxo-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-4-one Formula: C20H13F6N5OS MolecularWeight: 485.405539

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C3=C(N2)N(C(=S)NC3=O)CC4=CC=NC=C4)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C3=C(N2)N(C(=S)NC3=O)CC4=CC=NC=C4)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H13F6N5OS/c21-19(22,23)18(20(24,25)26)13-15(28-14(30-18)12-4-2-1-3-5-12)31(17(33)29-16(13)32)10-11-6-8-27-9-7-11/h1-9H,10H2,(H,28,30)(H,29,32,33)