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

Systemtic Name: (2R,4R,5S)-2-(6-azanyl-2-hex-1-ynyl-purin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol Openeye Name: (2R,4R,5S)-2-(6-amino-2-hex-1-ynyl-purin-9-yl)-5-(ethylsulfanylmethyl)tetrahydrofuran-3,4-diol CAS Name: (2R,4R,5S)-2-(6-amino-2-hex-1-ynyl-9-purinyl)-5-[(ethylthio)methyl]oxolane-3,4-diol IUPAC Name: (2R,4R,5S)-2-(6-amino-2-hex-1-ynylpurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol Traditional Name: (2R,4R,5S)-2-(6-amino-2-hex-1-ynyl-purin-9-yl)-5-[(ethylthio)methyl]tetrahydrofuran-3,4-diol Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O3S/c1-3-5-6-7-8-12-21-16(19)13-17(22-12)23(10-20-13)18-15(25)14(24)11(26-18)9-27-4-2/h10-11,14-15,18,24-25H,3-6,9H2,1-2H3,(H2,19,21,22)/t11-,14+,15?,18-/m1/s1