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

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(3-azanylpropylsulfanylmethyl)oxolane-3,4-diol Openeye Name: 2-(3-aminopropylsulfanylmethyl)-5-(6-aminopurin-9-yl)tetrahydrofuran-3,4-diol CAS Name: 2-[(3-aminopropylthio)methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol IUPAC Name: 2-(3-aminopropylsulfanylmethyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-[(3-aminopropylthio)methyl]tetrahydrofuran-3,4-diol Formula: C13H20N6O3S MolecularWeight: 340.4013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N6O3S/c14-2-1-3-23-4-7-9(20)10(21)13(22-7)19-6-18-8-11(15)16-5-17-12(8)19/h5-7,9-10,13,20-21H,1-4,14H2,(H2,15,16,17)