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

Systemtic Name: (2R,4R,5S)-2-(6-azanyl-2-hex-1-ynyl-purin-9-yl)-5-(propylsulfanylmethyl)oxolane-3,4-diol Openeye Name: (2R,4R,5S)-2-(6-amino-2-hex-1-ynyl-purin-9-yl)-5-(propylsulfanylmethyl)tetrahydrofuran-3,4-diol CAS Name: (2R,4R,5S)-2-(6-amino-2-hex-1-ynyl-9-purinyl)-5-[(propylthio)methyl]oxolane-3,4-diol IUPAC Name: (2R,4R,5S)-2-(6-amino-2-hex-1-ynylpurin-9-yl)-5-(propylsulfanylmethyl)oxolane-3,4-diol Traditional Name: (2R,4R,5S)-2-(6-amino-2-hex-1-ynyl-purin-9-yl)-5-[(propylthio)methyl]tetrahydrofuran-3,4-diol Formula: C19H27N5O3S MolecularWeight: 405.51438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O3S/c1-3-5-6-7-8-13-22-17(20)14-18(23-13)24(11-21-14)19-16(26)15(25)12(27-19)10-28-9-4-2/h11-12,15-16,19,25-26H,3-6,9-10H2,1-2H3,(H2,20,22,23)/t12-,15+,16?,19-/m1/s1