1-(7H-purin-6-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea

Systemtic Name: 1-(7H-purin-6-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Openeye Name: 1-(7H-purin-6-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea CAS Name: 1-(7H-purin-6-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea IUPAC Name: 1-(7H-purin-6-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Traditional Name: 1-(7H-purin-6-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Formula: C14H9F3N6O3 MolecularWeight: 366.25487

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)OC(O2)(C(F)(F)F)NC(=O)NC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)OC(O2)(C(F)(F)F)NC(=O)NC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C14H9F3N6O3/c15-13(16,17)14(25-7-3-1-2-4-8(7)26-14)23-12(24)22-11-9-10(19-5-18-9)20-6-21-11/h1-6H,(H3,18,19,20,21,22,23,24)