9-[(4-butoxyphenyl)methyl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine

Systemtic Name: 9-[(4-butoxyphenyl)methyl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine Openeye Name: 9-[(4-butoxyphenyl)methyl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine CAS Name: 9-[(4-butoxyphenyl)methyl]-N,N-dimethyl-2-(trifluoromethyl)-6-purinamine IUPAC Name: 9-[(4-butoxyphenyl)methyl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine Traditional Name: [9-(4-butoxybenzyl)-2-(trifluoromethyl)purin-6-yl]-dimethyl-amine Formula: C19H22F3N5O MolecularWeight: 393.40609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3N(C)C)C(F)(F)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3N(C)C)C(F)(F)F

InChI

InChI=1S/C19H22F3N5O/c1-4-5-10-28-14-8-6-13(7-9-14)11-27-12-23-15-16(26(2)3)24-18(19(20,21)22)25-17(15)27/h6-9,12H,4-5,10-11H2,1-3H3