6-azanyl-2-butylsulfanyl-9-[(4-fluorophenyl)methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-butylsulfanyl-9-[(4-fluorophenyl)methyl]-7H-purin-8-one Openeye Name: 6-amino-2-butylsulfanyl-9-[(4-fluorophenyl)methyl]-7H-purin-8-one CAS Name: 6-amino-2-(butylthio)-9-[(4-fluorophenyl)methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-butylsulfanyl-9-[(4-fluorophenyl)methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(butylthio)-9-(4-fluorobenzyl)-7H-purin-8-one Formula: C16H18FN5OS MolecularWeight: 347.410423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)F

Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)F

InChI

InChI=1S/C16H18FN5OS/c1-2-3-8-24-15-20-13(18)12-14(21-15)22(16(23)19-12)9-10-4-6-11(17)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,19,23)(H2,18,20,21)