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

Systemtic Name: 6-azanyl-2-(butylamino)-9-[[4-(trifluoromethyl)phenyl]methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(butylamino)-9-[[4-(trifluoromethyl)phenyl]methyl]-7H-purin-8-one CAS Name: 6-amino-2-(butylamino)-9-[[4-(trifluoromethyl)phenyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(butylamino)-9-[[4-(trifluoromethyl)phenyl]methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(butylamino)-9-[4-(trifluoromethyl)benzyl]-7H-purin-8-one Formula: C17H19F3N6O MolecularWeight: 380.36757

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H19F3N6O/c1-2-3-8-22-15-24-13(21)12-14(25-15)26(16(27)23-12)9-10-4-6-11(7-5-10)17(18,19)20/h4-7H,2-3,8-9H2,1H3,(H,23,27)(H3,21,22,24,25)