2-azanyl-9-[[(2S)-1-fluoranyl-3-(4-methylphenyl)sulfanyl-propan-2-yl]oxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[[(2S)-1-fluoranyl-3-(4-methylphenyl)sulfanyl-propan-2-yl]oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[(1S)-1-(fluoromethyl)-2-(p-tolylsulfanyl)ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[(2S)-1-fluoro-3-[(4-methylphenyl)thio]propan-2-yl]oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[(2S)-1-fluoro-3-(4-methylphenyl)sulfanylpropan-2-yl]oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[(1S)-1-(fluoromethyl)-2-(p-tolylthio)ethoxy]methyl]-3H-purin-6-one Formula: C16H18FN5O2S MolecularWeight: 363.409823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(CF)OCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@H](CF)OCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C16H18FN5O2S/c1-10-2-4-12(5-3-10)25-7-11(6-17)24-9-22-8-19-13-14(22)20-16(18)21-15(13)23/h2-5,8,11H,6-7,9H2,1H3,(H3,18,20,21,23)/t11-/m0/s1