3-[1,8-dimethyl-2,6-bis(oxidanylidene)-3H-purin-9-yl]propyl methanesulfonate

Systemtic Name: 3-[1,8-dimethyl-2,6-bis(oxidanylidene)-3H-purin-9-yl]propyl methanesulfonate Openeye Name: 3-(1,8-dimethyl-2,6-dioxo-3H-purin-9-yl)propyl methanesulfonate CAS Name: methanesulfonic acid 3-(1,8-dimethyl-2,6-dioxo-3H-purin-9-yl)propyl ester IUPAC Name: 3-(1,8-dimethyl-2,6-dioxo-3H-purin-9-yl)propyl methanesulfonate Traditional Name: methanesulfonic acid 3-(2,6-diketo-1,8-dimethyl-3H-purin-9-yl)propyl ester Formula: C11H16N4O5S MolecularWeight: 316.33354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CCCOS(=O)(=O)C)NC(=O)N(C2=O)C

Isomeric SMILES

CC1=NC2=C(N1CCCOS(=O)(=O)C)NC(=O)N(C2=O)C

InChI

InChI=1S/C11H16N4O5S/c1-7-12-8-9(13-11(17)14(2)10(8)16)15(7)5-4-6-20-21(3,18)19/h4-6H2,1-3H3,(H,13,17)