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

Systemtic Name: (2S,3R,5R)-5-(6-azanyl-2-hex-1-ynyl-purin-9-yl)-N-cyclopropyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: (2S,3R,5R)-5-(6-amino-2-hex-1-ynyl-purin-9-yl)-N-cyclopropyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: (2S,3R,5R)-5-(6-amino-2-hex-1-ynyl-9-purinyl)-N-cyclopropyl-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: (2S,3R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-N-cyclopropyl-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: (2S,3R,5R)-5-(6-amino-2-hex-1-ynyl-purin-9-yl)-N-cyclopropyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C19H24N6O4 MolecularWeight: 400.43166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(=O)NC4CC4)O)O

Isomeric SMILES

CCCCC#CC1=NC2=C(C(=N1)N)N=CN2[C@H]3C([C@H]([C@H](O3)C(=O)NC4CC4)O)O

InChI

InChI=1S/C19H24N6O4/c1-2-3-4-5-6-11-23-16(20)12-17(24-11)25(9-21-12)19-14(27)13(26)15(29-19)18(28)22-10-7-8-10/h9-10,13-15,19,26-27H,2-4,7-8H2,1H3,(H,22,28)(H2,20,23,24)/t13-,14?,15+,19-/m1/s1