2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl phosphono hydrogen phosphate

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl phosphono hydrogen phosphate Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl phosphono hydrogen phosphate CAS Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl phosphono hydrogen phosphate IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl phosphono hydrogen phosphate Traditional Name: 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl phosphono hydrogen phosphate Formula: C8H13N5O9P2 MolecularWeight: 385.164442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COCCOP(=O)(O)OP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1COCCOP(=O)(O)OP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C8H13N5O9P2/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-20-1-2-21-24(18,19)22-23(15,16)17/h3H,1-2,4H2,(H,18,19)(H2,15,16,17)(H3,9,11,12,14)