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

Systemtic Name: 6-azanyl-9-[(4-fluorophenyl)methyl]-2-(2-methoxyethylsulfanyl)-7H-purin-8-one Openeye Name: 6-amino-9-[(4-fluorophenyl)methyl]-2-(2-methoxyethylsulfanyl)-7H-purin-8-one CAS Name: 6-amino-9-[(4-fluorophenyl)methyl]-2-(2-methoxyethylthio)-7H-purin-8-one IUPAC Name: 6-amino-9-[(4-fluorophenyl)methyl]-2-(2-methoxyethylsulfanyl)-7H-purin-8-one Traditional Name: 6-amino-9-(4-fluorobenzyl)-2-(2-methoxyethylthio)-7H-purin-8-one Formula: C15H16FN5O2S MolecularWeight: 349.383243

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Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)F

Isomeric SMILES

COCCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)F

InChI

InChI=1S/C15H16FN5O2S/c1-23-6-7-24-14-19-12(17)11-13(20-14)21(15(22)18-11)8-9-2-4-10(16)5-3-9/h2-5H,6-8H2,1H3,(H,18,22)(H2,17,19,20)