2-[[5-[(6-aminopurin-9-yl)methyl]-1,2,3-triazol-1-yl]methoxy]ethyl ethanoate

Systemtic Name: 2-[[5-[(6-aminopurin-9-yl)methyl]-1,2,3-triazol-1-yl]methoxy]ethyl ethanoate Openeye Name: 2-[[5-[(6-aminopurin-9-yl)methyl]triazol-1-yl]methoxy]ethyl acetate CAS Name: acetic acid 2-[[5-[(6-aminopurin-9-yl)methyl]-1-triazolyl]methoxy]ethyl ester IUPAC Name: 2-[[5-[(6-aminopurin-9-yl)methyl]triazol-1-yl]methoxy]ethyl acetate Traditional Name: acetic acid 2-[[5-(adenin-9-ylmethyl)triazol-1-yl]methoxy]ethyl ester Formula: C13H16N8O3 MolecularWeight: 332.31794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOCN1C(=CN=N1)CN2C=NC3=C2N=CN=C3N

Isomeric SMILES

CC(=O)OCCOCN1C(=CN=N1)CN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C13H16N8O3/c1-9(22)24-3-2-23-8-21-10(4-18-19-21)5-20-7-17-11-12(14)15-6-16-13(11)20/h4,6-7H,2-3,5,8H2,1H3,(H2,14,15,16)