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

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine Openeye Name: 9-(1,3-benzodioxol-5-yl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine CAS Name: 9-(1,3-benzodioxol-5-yl)-N-cyclopropyl-2-(trifluoromethyl)-6-purinamine IUPAC Name: 9-(1,3-benzodioxol-5-yl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine Traditional Name: [9-(1,3-benzodioxol-5-yl)-2-(trifluoromethyl)purin-6-yl]-cyclopropyl-amine Formula: C16H12F3N5O2 MolecularWeight: 363.29399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=C2N=CN3C4=CC5=C(C=C4)OCO5)C(F)(F)F

Isomeric SMILES

C1CC1NC2=NC(=NC3=C2N=CN3C4=CC5=C(C=C4)OCO5)C(F)(F)F

InChI

InChI=1S/C16H12F3N5O2/c17-16(18,19)15-22-13(21-8-1-2-8)12-14(23-15)24(6-20-12)9-3-4-10-11(5-9)26-7-25-10/h3-6,8H,1-2,7H2,(H,21,22,23)