9-(2-bromanyl-4-propan-2-yl-phenyl)-6-chloranyl-2-methyl-8-(trifluoromethyl)purine

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-6-chloranyl-2-methyl-8-(trifluoromethyl)purine Openeye Name: 9-(2-bromo-4-isopropyl-phenyl)-6-chloro-2-methyl-8-(trifluoromethyl)purine CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-6-chloro-2-methyl-8-(trifluoromethyl)purine IUPAC Name: 9-(2-bromo-4-propan-2-ylphenyl)-6-chloro-2-methyl-8-(trifluoromethyl)purine Traditional Name: 9-(2-bromo-4-isopropyl-phenyl)-6-chloro-2-methyl-8-(trifluoromethyl)purine Formula: C16H13BrClF3N4 MolecularWeight: 433.65343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)Cl)N=C(N2C3=C(C=C(C=C3)C(C)C)Br)C(F)(F)F

Isomeric SMILES

CC1=NC2=C(C(=N1)Cl)N=C(N2C3=C(C=C(C=C3)C(C)C)Br)C(F)(F)F

InChI

InChI=1S/C16H13BrClF3N4/c1-7(2)9-4-5-11(10(17)6-9)25-14-12(13(18)22-8(3)23-14)24-15(25)16(19,20)21/h4-7H,1-3H3