(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-sulfanylphenyl)methylamino]purin-9-yl]oxolane-3,4-diol

Systemtic Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-sulfanylphenyl)methylamino]purin-9-yl]oxolane-3,4-diol Openeye Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-sulfanylphenyl)methylamino]purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-mercaptophenyl)methylamino]-9-purinyl]oxolane-3,4-diol IUPAC Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-sulfanylphenyl)methylamino]purin-9-yl]oxolane-3,4-diol Traditional Name: (2R,3R,4S,5R)-2-[6-[(2-mercaptobenzyl)amino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)S

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)S

InChI

InChI=1S/C17H19N5O4S/c23-6-10-13(24)14(25)17(26-10)22-8-21-12-15(19-7-20-16(12)22)18-5-9-3-1-2-4-11(9)27/h1-4,7-8,10,13-14,17,23-25,27H,5-6H2,(H,18,19,20)/t10-,13-,14-,17-/m1/s1