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

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(but-2-ynylsulfanylmethyl)oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-(but-2-ynylsulfanylmethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-[(but-2-ynylthio)methyl]oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-(but-2-ynylsulfanylmethyl)oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-[(but-2-ynylthio)methyl]tetrahydrofuran-3,4-diol Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

Isomeric SMILES

CC#CCSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

InChI

InChI=1S/C14H17N5O3S/c1-2-3-4-23-5-8-10(20)11(21)14(22-8)19-7-18-9-12(15)16-6-17-13(9)19/h6-8,10-11,14,20-21H,4-5H2,1H3,(H2,15,16,17)