6-azanyl-9-[[3,4-bis(fluoranyl)phenyl]methyl]-2-(butylamino)-7H-purin-8-one

Systemtic Name: 6-azanyl-9-[[3,4-bis(fluoranyl)phenyl]methyl]-2-(butylamino)-7H-purin-8-one Openeye Name: 6-amino-2-(butylamino)-9-[(3,4-difluorophenyl)methyl]-7H-purin-8-one CAS Name: 6-amino-2-(butylamino)-9-[(3,4-difluorophenyl)methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(butylamino)-9-[(3,4-difluorophenyl)methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(butylamino)-9-(3,4-difluorobenzyl)-7H-purin-8-one Formula: C16H18F2N6O MolecularWeight: 348.350526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18F2N6O/c1-2-3-6-20-15-22-13(19)12-14(23-15)24(16(25)21-12)8-9-4-5-10(17)11(18)7-9/h4-5,7H,2-3,6,8H2,1H3,(H,21,25)(H3,19,20,22,23)