6-azanyl-9-(phenylmethyl)-2-(trifluoromethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-9-(phenylmethyl)-2-(trifluoromethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(trifluoromethyl)-7H-purin-8-one CAS Name: 6-amino-9-(phenylmethyl)-2-(trifluoromethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(trifluoromethyl)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(trifluoromethyl)-7H-purin-8-one Formula: C13H10F3N5O MolecularWeight: 309.24661

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)C(F)(F)F)N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)C(F)(F)F)N)NC2=O

InChI

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