disodium 1-[6-(cyclopropylamino)purin-7-yl]-3-(phosphonatomethoxy)propan-2-ol

Systemtic Name: disodium 1-[6-(cyclopropylamino)purin-7-yl]-3-(phosphonatomethoxy)propan-2-ol Openeye Name: disodium 1-[6-(cyclopropylamino)purin-7-yl]-3-(phosphonatomethoxy)propan-2-ol CAS Name: disodium 1-[6-(cyclopropylamino)-7-purinyl]-3-(phosphonatomethoxy)-2-propanol IUPAC Name: disodium 1-[6-(cyclopropylamino)purin-7-yl]-3-(phosphonatomethoxy)propan-2-ol Traditional Name: disodium 1-[6-(cyclopropylamino)purin-7-yl]-3-(phosphonatomethoxy)propan-2-ol Formula: C12H16N5Na2O5P MolecularWeight: 387.239241

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC=NC3=C2N(C=N3)CC(COCP(=O)([O-])[O-])O.[Na+].[Na+]

Isomeric SMILES

C1CC1NC2=NC=NC3=C2N(C=N3)CC(COCP(=O)([O-])[O-])O.[Na+].[Na+]

InChI

InChI=1S/C12H18N5O5P.2Na/c18-9(4-22-7-23(19,20)21)3-17-6-15-11-10(17)12(14-5-13-11)16-8-1-2-8;;/h5-6,8-9,18H,1-4,7H2,(H,13,14,16)(H2,19,20,21);;/q;2*+1/p-2