1-[6-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]hexadec-1-yn-3-one

Systemtic Name: 1-[6-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]hexadec-1-yn-3-one Openeye Name: 1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-2-yl]hexadec-1-yn-3-one CAS Name: 1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-purinyl]-1-hexadecyn-3-one IUPAC Name: 1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]hexadec-1-yn-3-one Traditional Name: 1-[6-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purin-2-yl]hexadec-1-yn-3-one Formula: C26H39N5O5 MolecularWeight: 501.61836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39N5O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(33)14-15-20-29-24(27)21-25(30-20)31(17-28-21)26-23(35)22(34)19(16-32)36-26/h17,19,22-23,26,32,34-35H,2-13,16H2,1H3,(H2,27,29,30)