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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

Isomeric SMILES

CC1=CC(=CC=C1)SC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O

InChI

InChI=1S/C17H19N5O3S/c1-9-3-2-4-10(5-9)26-6-11-13(23)14(24)17(25-11)22-8-21-12-15(18)19-7-20-16(12)22/h2-5,7-8,11,13-14,17,23-24H,6H2,1H3,(H2,18,19,20)/t11-,13-,14-,17-/m1/s1