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

Systemtic Name: 6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl methanesulfonate Openeye Name: [5-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-1-methyl-pentyl] methanesulfonate CAS Name: methanesulfonic acid 6-(3,7-dimethyl-2,6-dioxo-1-purinyl)hexan-2-yl ester IUPAC Name: 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl methanesulfonate Traditional Name: methanesulfonic acid [5-(2,6-diketo-3,7-dimethyl-purin-1-yl)-1-methyl-pentyl] ester Formula: C14H22N4O5S MolecularWeight: 358.41328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4O5S/c1-10(23-24(4,21)22)7-5-6-8-18-13(19)11-12(15-9-16(11)2)17(3)14(18)20/h9-10H,5-8H2,1-4H3