N-cyclopropyl-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine

Systemtic Name: N-cyclopropyl-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine Openeye Name: N-cyclopropyl-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine CAS Name: N-cyclopropyl-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-6-purinamine IUPAC Name: N-cyclopropyl-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine Traditional Name: cyclopropyl-[9-p-anisyl-2-(trifluoromethyl)purin-6-yl]amine Formula: C17H16F3N5O MolecularWeight: 363.33705

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3NC4CC4)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3NC4CC4)C(F)(F)F

InChI

InChI=1S/C17H16F3N5O/c1-26-12-6-2-10(3-7-12)8-25-9-21-13-14(22-11-4-5-11)23-16(17(18,19)20)24-15(13)25/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,22,23,24)