1-(4-fluorophenyl)-7-(3-methoxyphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1-(4-fluorophenyl)-7-(3-methoxyphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1-(4-fluorophenyl)-7-(3-methoxyphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1-(4-fluorophenyl)-7-(3-methoxyphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1-(4-fluorophenyl)-7-(3-methoxyphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1-(4-fluorophenyl)-7-(3-methoxyphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H13F7N4O3 MolecularWeight: 502.341742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(C3=C(N2)N(C(=O)NC3=O)C4=CC=C(C=C4)F)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(C3=C(N2)N(C(=O)NC3=O)C4=CC=C(C=C4)F)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H13F7N4O3/c1-35-13-4-2-3-10(9-13)15-29-16-14(19(31-15,20(23,24)25)21(26,27)28)17(33)30-18(34)32(16)12-7-5-11(22)6-8-12/h2-9H,1H3,(H,29,31)(H,30,33,34)