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

Systemtic Name: 5-(6-azanyl-2-oct-1-ynyl-purin-9-yl)-2-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carboxylic acid Openeye Name: 5-(6-amino-2-oct-1-ynyl-purin-9-yl)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrofuran-2-carboxylic acid CAS Name: 5-(6-amino-2-oct-1-ynyl-9-purinyl)-3,4-dihydroxy-2-(hydroxymethyl)-2-oxolanecarboxylic acid IUPAC Name: 5-(6-amino-2-oct-1-ynylpurin-9-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolane-2-carboxylic acid Traditional Name: 5-(6-amino-2-oct-1-ynyl-purin-9-yl)-3,4-dihydroxy-2-methylol-tetrahydrofuran-2-carboxylic acid Formula: C19H25N5O6 MolecularWeight: 419.4317

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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)O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O6/c1-2-3-4-5-6-7-8-11-22-15(20)12-16(23-11)24(10-21-12)17-13(26)14(27)19(9-25,30-17)18(28)29/h10,13-14,17,25-27H,2-6,9H2,1H3,(H,28,29)(H2,20,22,23)