2-[6-azanyl-2-hex-1-ynyl-8-(propylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-2-hex-1-ynyl-8-(propylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-hex-1-ynyl-8-(propylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-hex-1-ynyl-8-(propylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-hex-1-ynyl-8-(propylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-hex-1-ynyl-8-(propylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C19H28N6O4 MolecularWeight: 404.46342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)CO)O)O)NCCC

Isomeric SMILES

CCCCC#CC1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)CO)O)O)NCCC

InChI

InChI=1S/C19H28N6O4/c1-3-5-6-7-8-12-22-16(20)13-17(23-12)25(19(24-13)21-9-4-2)18-15(28)14(27)11(10-26)29-18/h11,14-15,18,26-28H,3-6,9-10H2,1-2H3,(H,21,24)(H2,20,22,23)