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

Systemtic Name: 2-azanyl-9-[1-[(2S)-1-fluoranyl-3-(4-methylphenyl)sulfanyl-propan-2-yl]oxyethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[1-[(1S)-1-(fluoromethyl)-2-(p-tolylsulfanyl)ethoxy]ethyl]-3H-purin-6-one CAS Name: 2-amino-9-[1-[(2S)-1-fluoro-3-[(4-methylphenyl)thio]propan-2-yl]oxyethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[1-[(2S)-1-fluoro-3-(4-methylphenyl)sulfanylpropan-2-yl]oxyethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[1-[(1S)-1-(fluoromethyl)-2-(p-tolylthio)ethoxy]ethyl]-3H-purin-6-one Formula: C17H20FN5O2S MolecularWeight: 377.436403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(CF)OC(C)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@H](CF)OC(C)N2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C17H20FN5O2S/c1-10-3-5-13(6-4-10)26-8-12(7-18)25-11(2)23-9-20-14-15(23)21-17(19)22-16(14)24/h3-6,9,11-12H,7-8H2,1-2H3,(H3,19,21,22,24)/t11?,12-/m0/s1