2-azanyl-9-[5-(1-imidazol-1-ylpropoxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[5-(1-imidazol-1-ylpropoxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[4-hydroxy-5-(1-imidazol-1-ylpropoxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[4-hydroxy-5-[1-(1-imidazolyl)propoxymethyl]-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[4-hydroxy-5-(1-imidazol-1-ylpropoxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[4-hydroxy-5-(1-imidazol-1-ylpropoxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C16H21N7O4 MolecularWeight: 375.38244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(N1C=CN=C1)OCC2C(CC(O2)N3C=NC4=C3NC(=NC4=O)N)O

Isomeric SMILES

CCC(N1C=CN=C1)OCC2C(CC(O2)N3C=NC4=C3NC(=NC4=O)N)O

InChI

InChI=1S/C16H21N7O4/c1-2-11(22-4-3-18-7-22)26-6-10-9(24)5-12(27-10)23-8-19-13-14(23)20-16(17)21-15(13)25/h3-4,7-12,24H,2,5-6H2,1H3,(H3,17,20,21,25)