sodium [(2R)-6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl] sulfate

Systemtic Name: sodium [(2R)-6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl] sulfate Openeye Name: sodium [(1R)-5-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-1-methyl-pentyl] sulfate CAS Name: sodium [(2R)-6-(3,7-dimethyl-2,6-dioxo-1-purinyl)hexan-2-yl] sulfate IUPAC Name: sodium [(2R)-6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl] sulfate Traditional Name: sodium [(1R)-5-(2,6-diketo-3,7-dimethyl-purin-1-yl)-1-methyl-pentyl] sulfate Formula: C13H19N4NaO6S MolecularWeight: 382.36793

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C[C@H](CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H20N4O6S.Na/c1-9(23-24(20,21)22)6-4-5-7-17-12(18)10-11(14-8-15(10)2)16(3)13(17)19;/h8-9H,4-7H2,1-3H3,(H,20,21,22);/q;+1/p-1/t9-;/m1./s1