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

Systemtic Name: 6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl sulfate Openeye Name: [5-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-1-methyl-pentyl] sulfate CAS Name: 6-(3,7-dimethyl-2,6-dioxo-1-purinyl)hexan-2-yl sulfate IUPAC Name: 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl sulfate Traditional Name: [5-(2,6-diketo-3,7-dimethyl-purin-1-yl)-1-methyl-pentyl] sulfate Formula: C13H19N4O6S- MolecularWeight: 359.37816

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O6S/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)/p-1