[3-(2-cyclohexyl-6-oxidanylidene-3H-purin-9-yl)-6-phenyl-hexan-2-yl] methanesulfonate

Systemtic Name: [3-(2-cyclohexyl-6-oxidanylidene-3H-purin-9-yl)-6-phenyl-hexan-2-yl] methanesulfonate Openeye Name: [2-(2-cyclohexyl-6-oxo-3H-purin-9-yl)-1-methyl-5-phenyl-pentyl] methanesulfonate CAS Name: methanesulfonic acid [3-(2-cyclohexyl-6-oxo-3H-purin-9-yl)-6-phenylhexan-2-yl] ester IUPAC Name: [3-(2-cyclohexyl-6-oxo-3H-purin-9-yl)-6-phenylhexan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-(2-cyclohexyl-6-keto-3H-purin-9-yl)-1-methyl-5-phenyl-pentyl] ester Formula: C24H32N4O4S MolecularWeight: 472.60028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4CCCCC4)OS(=O)(=O)C

Isomeric SMILES

CC(C(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4CCCCC4)OS(=O)(=O)C

InChI

InChI=1S/C24H32N4O4S/c1-17(32-33(2,30)31)20(15-9-12-18-10-5-3-6-11-18)28-16-25-21-23(28)26-22(27-24(21)29)19-13-7-4-8-14-19/h3,5-6,10-11,16-17,19-20H,4,7-9,12-15H2,1-2H3,(H,26,27,29)