2-[(phenylmethyl)amino]-8-(trifluoromethyl)-3,7-dihydropurin-6-one

Systemtic Name: 2-[(phenylmethyl)amino]-8-(trifluoromethyl)-3,7-dihydropurin-6-one Openeye Name: 2-(benzylamino)-8-(trifluoromethyl)-3,7-dihydropurin-6-one CAS Name: 2-[(phenylmethyl)amino]-8-(trifluoromethyl)-3,7-dihydropurin-6-one IUPAC Name: 2-(benzylamino)-8-(trifluoromethyl)-3,7-dihydropurin-6-one Traditional Name: 2-(benzylamino)-8-(trifluoromethyl)-3,7-dihydropurin-6-one Formula: C13H10F3N5O MolecularWeight: 309.24661

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=O)C3=C(N2)N=C(N3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=O)C3=C(N2)N=C(N3)C(F)(F)F

InChI

InChI=1S/C13H10F3N5O/c14-13(15,16)11-18-8-9(19-11)20-12(21-10(8)22)17-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,17,18,19,20,21,22)