disodium 2-azanyl-9-[2-azanyl-3-(phosphonatomethoxy)propyl]-3H-purin-6-one

Systemtic Name: disodium 2-azanyl-9-[2-azanyl-3-(phosphonatomethoxy)propyl]-3H-purin-6-one Openeye Name: disodium 2-amino-9-[2-amino-3-(phosphonatomethoxy)propyl]-3H-purin-6-one CAS Name: disodium 2-amino-9-[2-amino-3-(phosphonatomethoxy)propyl]-3H-purin-6-one IUPAC Name: disodium 2-amino-9-[2-amino-3-(phosphonatomethoxy)propyl]-3H-purin-6-one Traditional Name: disodium 2-amino-9-[2-amino-3-(phosphonatomethoxy)propyl]-3H-purin-6-one Formula: C9H13N6Na2O5P MolecularWeight: 362.190021

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(COCP(=O)([O-])[O-])N)NC(=NC2=O)N.[Na+].[Na+]

Isomeric SMILES

C1=NC2=C(N1CC(COCP(=O)([O-])[O-])N)NC(=NC2=O)N.[Na+].[Na+]

InChI

InChI=1S/C9H15N6O5P.2Na/c10-5(2-20-4-21(17,18)19)1-15-3-12-6-7(15)13-9(11)14-8(6)16;;/h3,5H,1-2,4,10H2,(H2,17,18,19)(H3,11,13,14,16);;/q;2*+1/p-2