9-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine

Systemtic Name: 9-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine Openeye Name: 9-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine CAS Name: 9-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2-(trifluoromethyl)-6-purinamine IUPAC Name: 9-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine Traditional Name: cyclopropyl-[9-piperonyl-2-(trifluoromethyl)purin-6-yl]amine Formula: C17H14F3N5O2 MolecularWeight: 377.32057

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=C2N=CN3CC4=CC5=C(C=C4)OCO5)C(F)(F)F

Isomeric SMILES

C1CC1NC2=NC(=NC3=C2N=CN3CC4=CC5=C(C=C4)OCO5)C(F)(F)F

InChI

InChI=1S/C17H14F3N5O2/c18-17(19,20)16-23-14(22-10-2-3-10)13-15(24-16)25(7-21-13)6-9-1-4-11-12(5-9)27-8-26-11/h1,4-5,7,10H,2-3,6,8H2,(H,22,23,24)