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

Systemtic Name: 1-[6-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]hept-1-yn-3-one Openeye Name: 1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-2-yl]hept-1-yn-3-one CAS Name: 1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-purinyl]-1-heptyn-3-one IUPAC Name: 1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]hept-1-yn-3-one Traditional Name: 1-[6-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purin-2-yl]hept-1-yn-3-one Formula: C17H21N5O5 MolecularWeight: 375.37914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O5/c1-2-3-4-9(24)5-6-11-20-15(18)12-16(21-11)22(8-19-12)17-14(26)13(25)10(7-23)27-17/h8,10,13-14,17,23,25-26H,2-4,7H2,1H3,(H2,18,20,21)