N-cyclopropyl-9-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine

Systemtic Name: N-cyclopropyl-9-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine Openeye Name: N-cyclopropyl-9-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine CAS Name: N-cyclopropyl-9-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)-6-purinamine IUPAC Name: N-cyclopropyl-9-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine Traditional Name: cyclopropyl-[2-(trifluoromethyl)-9-veratryl-purin-6-yl]amine Formula: C18H18F3N5O2 MolecularWeight: 393.36303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3N5O2/c1-27-12-6-3-10(7-13(12)28-2)8-26-9-22-14-15(23-11-4-5-11)24-17(18(19,20)21)25-16(14)26/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,23,24,25)