(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[(2-methylphenyl)sulfanylmethyl]oxolane-3,4-diol

Systemtic Name: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[(2-methylphenyl)sulfanylmethyl]oxolane-3,4-diol Openeye Name: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(o-tolylsulfanylmethyl)tetrahydrofuran-3,4-diol CAS Name: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[[(2-methylphenyl)thio]methyl]oxolane-3,4-diol IUPAC Name: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[(2-methylphenyl)sulfanylmethyl]oxolane-3,4-diol Traditional Name: (2R,3R,4S,5S)-2-adenin-9-yl-5-[(o-tolylthio)methyl]tetrahydrofuran-3,4-diol Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

Isomeric SMILES

CC1=CC=CC=C1SC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O

InChI

InChI=1S/C17H19N5O3S/c1-9-4-2-3-5-11(9)26-6-10-13(23)14(24)17(25-10)22-8-21-12-15(18)19-7-20-16(12)22/h2-5,7-8,10,13-14,17,23-24H,6H2,1H3,(H2,18,19,20)/t10-,13-,14-,17-/m1/s1