(2R,4R,5S)-2-(6-azanyl-2-hex-1-ynyl-purin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol

Systemtic Name: (2R,4R,5S)-2-(6-azanyl-2-hex-1-ynyl-purin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol Openeye Name: (2R,4R,5S)-2-(6-amino-2-hex-1-ynyl-purin-9-yl)-5-(methylsulfanylmethyl)tetrahydrofuran-3,4-diol CAS Name: (2R,4R,5S)-2-(6-amino-2-hex-1-ynyl-9-purinyl)-5-[(methylthio)methyl]oxolane-3,4-diol IUPAC Name: (2R,4R,5S)-2-(6-amino-2-hex-1-ynylpurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol Traditional Name: (2R,4R,5S)-2-(6-amino-2-hex-1-ynyl-purin-9-yl)-5-[(methylthio)methyl]tetrahydrofuran-3,4-diol Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CSC)O)O

Isomeric SMILES

CCCCC#CC1=NC2=C(C(=N1)N)N=CN2[C@H]3C([C@H]([C@H](O3)CSC)O)O

InChI

InChI=1S/C17H23N5O3S/c1-3-4-5-6-7-11-20-15(18)12-16(21-11)22(9-19-12)17-14(24)13(23)10(25-17)8-26-2/h9-10,13-14,17,23-24H,3-5,8H2,1-2H3,(H2,18,20,21)/t10-,13+,14?,17-/m1/s1