5-(6-azanyl-2-oct-1-ynyl-purin-9-yl)-2-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carboxamide

Systemtic Name: 5-(6-azanyl-2-oct-1-ynyl-purin-9-yl)-2-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: 5-(6-amino-2-oct-1-ynyl-purin-9-yl)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrofuran-2-carboxamide CAS Name: 5-(6-amino-2-oct-1-ynyl-9-purinyl)-3,4-dihydroxy-2-(hydroxymethyl)-2-oxolanecarboxamide IUPAC Name: 5-(6-amino-2-oct-1-ynylpurin-9-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolane-2-carboxamide Traditional Name: 5-(6-amino-2-oct-1-ynyl-purin-9-yl)-3,4-dihydroxy-2-methylol-tetrahydrofuran-2-carboxamide Formula: C19H26N6O5 MolecularWeight: 418.44694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)(CO)C(=O)N)O)O

Isomeric SMILES

CCCCCCC#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)(CO)C(=O)N)O)O

InChI

InChI=1S/C19H26N6O5/c1-2-3-4-5-6-7-8-11-23-15(20)12-16(24-11)25(10-22-12)17-13(27)14(28)19(9-26,30-17)18(21)29/h10,13-14,17,26-28H,2-6,9H2,1H3,(H2,21,29)(H2,20,23,24)