(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(2-azanylethylsulfanylmethyl)oxolane-3,4-diol

Systemtic Name: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(2-azanylethylsulfanylmethyl)oxolane-3,4-diol Openeye Name: (2S,3S,4R,5R)-2-(2-aminoethylsulfanylmethyl)-5-(6-aminopurin-9-yl)tetrahydrofuran-3,4-diol CAS Name: (2S,3S,4R,5R)-2-[(2-aminoethylthio)methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol IUPAC Name: (2S,3S,4R,5R)-2-(2-aminoethylsulfanylmethyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol Traditional Name: (2R,3R,4S,5S)-2-adenin-9-yl-5-[(2-aminoethylthio)methyl]tetrahydrofuran-3,4-diol Formula: C12H18N6O3S MolecularWeight: 326.37472

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CSCCN)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCN)O)O

InChI

InChI=1S/C12H18N6O3S/c13-1-2-22-3-6-8(19)9(20)12(21-6)18-5-17-7-10(14)15-4-16-11(7)18/h4-6,8-9,12,19-20H,1-3,13H2,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1