2-(4-azanylbutylamino)-9-[[2-(trifluoromethyl)phenyl]methyl]-7H-purin-8-one

Systemtic Name: 2-(4-azanylbutylamino)-9-[[2-(trifluoromethyl)phenyl]methyl]-7H-purin-8-one Openeye Name: 2-(4-aminobutylamino)-9-[[2-(trifluoromethyl)phenyl]methyl]-7H-purin-8-one CAS Name: 2-(4-aminobutylamino)-9-[[2-(trifluoromethyl)phenyl]methyl]-7H-purin-8-one IUPAC Name: 2-(4-aminobutylamino)-9-[[2-(trifluoromethyl)phenyl]methyl]-7H-purin-8-one Traditional Name: 2-(4-aminobutylamino)-9-[2-(trifluoromethyl)benzyl]-7H-purin-8-one Formula: C17H19F3N6O MolecularWeight: 380.36757

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C3=NC(=NC=C3NC2=O)NCCCCN)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CN2C3=NC(=NC=C3NC2=O)NCCCCN)C(F)(F)F

InChI

InChI=1S/C17H19F3N6O/c18-17(19,20)12-6-2-1-5-11(12)10-26-14-13(24-16(26)27)9-23-15(25-14)22-8-4-3-7-21/h1-2,5-6,9H,3-4,7-8,10,21H2,(H,24,27)(H,22,23,25)