hydroxymethyl 2-[3-[(6-azanyl-2-butylsulfanyl-8-oxidanylidene-7H-purin-9-yl)methyl]-2-fluoranyl-phenyl]ethanoate

Systemtic Name: hydroxymethyl 2-[3-[(6-azanyl-2-butylsulfanyl-8-oxidanylidene-7H-purin-9-yl)methyl]-2-fluoranyl-phenyl]ethanoate Openeye Name: hydroxymethyl 2-[3-[(6-amino-2-butylsulfanyl-8-oxo-7H-purin-9-yl)methyl]-2-fluoro-phenyl]acetate CAS Name: 2-[3-[[6-amino-2-(butylthio)-8-oxo-7H-purin-9-yl]methyl]-2-fluorophenyl]acetic acid hydroxymethyl ester IUPAC Name: hydroxymethyl 2-[3-[(6-amino-2-butylsulfanyl-8-oxo-7H-purin-9-yl)methyl]-2-fluorophenyl]acetate Traditional Name: 2-[3-[[6-amino-2-(butylthio)-8-keto-7H-purin-9-yl]methyl]-2-fluoro-phenyl]acetic acid methylol ester Formula: C19H22FN5O4S MolecularWeight: 435.472483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3F)CC(=O)OCO

Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3F)CC(=O)OCO

InChI

InChI=1S/C19H22FN5O4S/c1-2-3-7-30-18-23-16(21)15-17(24-18)25(19(28)22-15)9-12-6-4-5-11(14(12)20)8-13(27)29-10-26/h4-6,26H,2-3,7-10H2,1H3,(H,22,28)(H2,21,23,24)