1-[3,5-bis(trifluoromethyl)phenyl]-8-methyl-3-phenyl-7H-purine-2,6-dione

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-8-methyl-3-phenyl-7H-purine-2,6-dione Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-8-methyl-3-phenyl-7H-purine-2,6-dione CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-8-methyl-3-phenyl-7H-purine-2,6-dione IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-8-methyl-3-phenyl-7H-purine-2,6-dione Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-8-methyl-3-phenyl-7H-purine-2,6-quinone Formula: C20H12F6N4O2 MolecularWeight: 454.325299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C(=O)N(C(=O)N2C3=CC=CC=C3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=NC2=C(N1)C(=O)N(C(=O)N2C3=CC=CC=C3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H12F6N4O2/c1-10-27-15-16(28-10)29(13-5-3-2-4-6-13)18(32)30(17(15)31)14-8-11(19(21,22)23)7-12(9-14)20(24,25)26/h2-9H,1H3,(H,27,28)