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

Systemtic Name: disodium 1-[2-azanyl-6-(cyclopropylamino)purin-9-yl]-3-(phosphonatomethoxy)propan-2-ol Openeye Name: disodium 1-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(phosphonatomethoxy)propan-2-ol CAS Name: disodium 1-[2-amino-6-(cyclopropylamino)-9-purinyl]-3-(phosphonatomethoxy)-2-propanol IUPAC Name: disodium 1-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(phosphonatomethoxy)propan-2-ol Traditional Name: disodium 1-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(phosphonatomethoxy)propan-2-ol Formula: C12H17N6Na2O5P MolecularWeight: 402.253881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N6O5P.2Na/c13-12-16-10(15-7-1-2-7)9-11(17-12)18(5-14-9)3-8(19)4-23-6-24(20,21)22;;/h5,7-8,19H,1-4,6H2,(H2,20,21,22)(H3,13,15,16,17);;/q;2*+1/p-2