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

Systemtic Name: 2-[6-azanyl-2-hex-1-ynyl-8-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-hex-1-ynyl-8-(methylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-hex-1-ynyl-8-(methylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-hex-1-ynyl-8-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-hex-1-ynyl-8-(methylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C17H24N6O4 MolecularWeight: 376.41026

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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)NC

Isomeric SMILES

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

InChI

InChI=1S/C17H24N6O4/c1-3-4-5-6-7-10-20-14(18)11-15(21-10)23(17(19-2)22-11)16-13(26)12(25)9(8-24)27-16/h9,12-13,16,24-26H,3-5,8H2,1-2H3,(H,19,22)(H2,18,20,21)