disodium 1-[2-azanyl-6-(2-dimethylaminoethylamino)purin-9-yl]-3-(phosphonatomethoxy)propan-2-ol

Systemtic Name: disodium 1-[2-azanyl-6-(2-dimethylaminoethylamino)purin-9-yl]-3-(phosphonatomethoxy)propan-2-ol Openeye Name: disodium 1-[2-amino-6-(2-dimethylaminoethylamino)purin-9-yl]-3-(phosphonatomethoxy)propan-2-ol CAS Name: disodium 1-[2-amino-6-(2-dimethylaminoethylamino)-9-purinyl]-3-(phosphonatomethoxy)-2-propanol IUPAC Name: disodium 1-[2-amino-6-(2-dimethylaminoethylamino)purin-9-yl]-3-(phosphonatomethoxy)propan-2-ol Traditional Name: disodium 1-[2-amino-6-(2-dimethylaminoethylamino)purin-9-yl]-3-(phosphonatomethoxy)propan-2-ol Formula: C13H22N7Na2O5P MolecularWeight: 433.310981

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=NC(=NC2=C1N=CN2CC(COCP(=O)([O-])[O-])O)N.[Na+].[Na+]

Isomeric SMILES

CN(C)CCNC1=NC(=NC2=C1N=CN2CC(COCP(=O)([O-])[O-])O)N.[Na+].[Na+]

InChI

InChI=1S/C13H24N7O5P.2Na/c1-19(2)4-3-15-11-10-12(18-13(14)17-11)20(7-16-10)5-9(21)6-25-8-26(22,23)24;;/h7,9,21H,3-6,8H2,1-2H3,(H2,22,23,24)(H3,14,15,17,18);;/q;2*+1/p-2