6-ethyl-9-[(3-methylphenyl)methyl]-2-(trifluoromethyl)purine

Systemtic Name: 6-ethyl-9-[(3-methylphenyl)methyl]-2-(trifluoromethyl)purine Openeye Name: 6-ethyl-9-(m-tolylmethyl)-2-(trifluoromethyl)purine CAS Name: 6-ethyl-9-[(3-methylphenyl)methyl]-2-(trifluoromethyl)purine IUPAC Name: 6-ethyl-9-[(3-methylphenyl)methyl]-2-(trifluoromethyl)purine Traditional Name: 6-ethyl-9-(3-methylbenzyl)-2-(trifluoromethyl)purine Formula: C16H15F3N4 MolecularWeight: 320.31231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC(=N1)C(F)(F)F)N(C=N2)CC3=CC=CC(=C3)C

Isomeric SMILES

CCC1=C2C(=NC(=N1)C(F)(F)F)N(C=N2)CC3=CC=CC(=C3)C

InChI

InChI=1S/C16H15F3N4/c1-3-12-13-14(22-15(21-12)16(17,18)19)23(9-20-13)8-11-6-4-5-10(2)7-11/h4-7,9H,3,8H2,1-2H3