[5-(6-azanyl-8-methoxy-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [5-(6-azanyl-8-methoxy-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Openeye Name: [5-(6-amino-8-methoxy-purin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [5-(6-amino-8-methoxy-9-purinyl)-2-(phosphonooxymethyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [5-(6-amino-8-methoxypurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Traditional Name: [5-(6-amino-8-methoxy-purin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C11H17N5O10P2 MolecularWeight: 441.227702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=C(N1C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)O)N=CN=C2N

Isomeric SMILES

COC1=NC2=C(N1C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)O)N=CN=C2N

InChI

InChI=1S/C11H17N5O10P2/c1-23-11-15-8-9(12)13-4-14-10(8)16(11)7-2-5(26-28(20,21)22)6(25-7)3-24-27(17,18)19/h4-7H,2-3H2,1H3,(H2,12,13,14)(H2,17,18,19)(H2,20,21,22)