tetrasodium N6-cyclopropyl-9-[3-(phosphonatomethoxy)-2-(phosphonatomethoxymethyl)propyl]purine-2,6-diamine

Systemtic Name: tetrasodium N6-cyclopropyl-9-[3-(phosphonatomethoxy)-2-(phosphonatomethoxymethyl)propyl]purine-2,6-diamine Openeye Name: tetrasodium N6-cyclopropyl-9-[3-(phosphonatomethoxy)-2-(phosphonatomethoxymethyl)propyl]purine-2,6-diamine CAS Name: tetrasodium N6-cyclopropyl-9-[3-(phosphonatomethoxy)-2-(phosphonatomethoxymethyl)propyl]purine-2,6-diamine IUPAC Name: tetrasodium 6-N-cyclopropyl-9-[3-(phosphonatomethoxy)-2-(phosphonatomethoxymethyl)propyl]purine-2,6-diamine Traditional Name: tetrasodium [2-amino-9-[3-(phosphonatomethoxy)-2-(phosphonatomethoxymethyl)propyl]purin-6-yl]-cyclopropyl-amine Formula: C14H20N6Na4O8P2 MolecularWeight: 554.250602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=C2N=CN3CC(COCP(=O)([O-])[O-])COCP(=O)([O-])[O-])N.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1CC1NC2=NC(=NC3=C2N=CN3CC(COCP(=O)([O-])[O-])COCP(=O)([O-])[O-])N.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C14H24N6O8P2.4Na/c15-14-18-12(17-10-1-2-10)11-13(19-14)20(6-16-11)3-9(4-27-7-29(21,22)23)5-28-8-30(24,25)26;;;;/h6,9-10H,1-5,7-8H2,(H2,21,22,23)(H2,24,25,26)(H3,15,17,18,19);;;;/q;4*+1/p-4