(2S,3R,5R)-5-(6-azanyl-2-hex-1-ynyl-purin-9-yl)-3,4-bis(oxidanyl)-N-propyl-oxolane-2-carboxamide

Systemtic Name: (2S,3R,5R)-5-(6-azanyl-2-hex-1-ynyl-purin-9-yl)-3,4-bis(oxidanyl)-N-propyl-oxolane-2-carboxamide Openeye Name: (2S,3R,5R)-5-(6-amino-2-hex-1-ynyl-purin-9-yl)-3,4-dihydroxy-N-propyl-tetrahydrofuran-2-carboxamide CAS Name: (2S,3R,5R)-5-(6-amino-2-hex-1-ynyl-9-purinyl)-3,4-dihydroxy-N-propyl-2-oxolanecarboxamide IUPAC Name: (2S,3R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxy-N-propyloxolane-2-carboxamide Traditional Name: (2S,3R,5R)-5-(6-amino-2-hex-1-ynyl-purin-9-yl)-3,4-dihydroxy-N-propyl-tetrahydrofuran-2-carboxamide Formula: C19H26N6O4 MolecularWeight: 402.44754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N6O4/c1-3-5-6-7-8-11-23-16(20)12-17(24-11)25(10-22-12)19-14(27)13(26)15(29-19)18(28)21-9-4-2/h10,13-15,19,26-27H,3-6,9H2,1-2H3,(H,21,28)(H2,20,23,24)/t13-,14?,15+,19-/m1/s1