3-(2-chlorophenyl)-7-(phenylmethyl)sulfonyl-1-[2,2,2-tris(fluoranyl)ethyl]-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-(2-chlorophenyl)-7-(phenylmethyl)sulfonyl-1-[2,2,2-tris(fluoranyl)ethyl]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-benzylsulfonyl-3-(2-chlorophenyl)-1-(2,2,2-trifluoroethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2-chlorophenyl)-7-(phenylmethyl)sulfonyl-1-(2,2,2-trifluoroethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-benzylsulfonyl-3-(2-chlorophenyl)-1-(2,2,2-trifluoroethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-benzylsulfonyl-3-(2-chlorophenyl)-1-(2,2,2-trifluoroethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C21H16ClF3N4O3S MolecularWeight: 496.88995

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CN=C(N=C2N(C(=O)N1C3=CC=CC=C3Cl)CC(F)(F)F)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1C2=CN=C(N=C2N(C(=O)N1C3=CC=CC=C3Cl)CC(F)(F)F)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H16ClF3N4O3S/c22-16-8-4-5-9-17(16)28-11-15-10-26-19(33(31,32)12-14-6-2-1-3-7-14)27-18(15)29(20(28)30)13-21(23,24)25/h1-10H,11-13H2