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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC=NC2=C1N(C=N2)CC(COCP(=O)([O-])[O-])O.[Na+].[Na+]

Isomeric SMILES

C=CCNC1=NC=NC2=C1N(C=N2)CC(COCP(=O)([O-])[O-])O.[Na+].[Na+]

InChI

InChI=1S/C12H18N5O5P.2Na/c1-2-3-13-11-10-12(15-6-14-11)16-7-17(10)4-9(18)5-22-8-23(19,20)21;;/h2,6-7,9,18H,1,3-5,8H2,(H,13,14,15)(H2,19,20,21);;/q;2*+1/p-2