2-azanyl-9-[4-azido-5-(1-oxidanyl-2,2-diphosphonato-ethyl)oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[4-azido-5-(1-oxidanyl-2,2-diphosphonato-ethyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[4-azido-5-(1-hydroxy-2,2-diphosphonato-ethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[4-azido-5-(1-hydroxy-2,2-diphosphonatoethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[4-azido-5-(1-hydroxy-2,2-diphosphonatoethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[4-azido-5-(1-hydroxy-2,2-diphosphonato-ethyl)tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C11H12N8O9P2-4 MolecularWeight: 462.208702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)C(C(P(=O)([O-])[O-])P(=O)([O-])[O-])O)N=[N+]=[N-]

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)C(C(P(=O)([O-])[O-])P(=O)([O-])[O-])O)N=[N+]=[N-]

InChI

InChI=1S/C11H16N8O9P2/c12-11-15-8-5(9(21)16-11)14-2-19(8)4-1-3(17-18-13)7(28-4)6(20)10(29(22,23)24)30(25,26)27/h2-4,6-7,10,20H,1H2,(H2,22,23,24)(H2,25,26,27)(H3,12,15,16,21)/p-4