2-[6-azanyl-2-(2-azanylethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-2-(2-azanylethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-(2-aminoethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-(2-aminoethylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-(2-aminoethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-(2-aminoethylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C12H18N6O4S MolecularWeight: 342.37412

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)SCCN

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)SCCN

InChI

InChI=1S/C12H18N6O4S/c13-1-2-23-12-16-9(14)6-10(17-12)18(4-15-6)11-8(21)7(20)5(3-19)22-11/h4-5,7-8,11,19-21H,1-3,13H2,(H2,14,16,17)