2-(6-aminopurin-9-yl)-5-(1-hydroxyethylsulfanylmethyl)oxolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(1-hydroxyethylsulfanylmethyl)oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-(1-hydroxyethylsulfanylmethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-[(1-hydroxyethylthio)methyl]oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-(1-hydroxyethylsulfanylmethyl)oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-[(1-hydroxyethylthio)methyl]tetrahydrofuran-3,4-diol Formula: C12H17N5O4S MolecularWeight: 327.35948

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)SCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

Isomeric SMILES

CC(O)SCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

InChI

InChI=1S/C12H17N5O4S/c1-5(18)22-2-6-8(19)9(20)12(21-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-6,8-9,12,18-20H,2H2,1H3,(H2,13,14,15)