[(2R)-2-(6-aminopurin-9-yl)octyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-2-(6-aminopurin-9-yl)octyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-(6-aminopurin-9-yl)octyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-2-(6-aminopurin-9-yl)octyl] ester IUPAC Name: [(2R)-2-(6-aminopurin-9-yl)octyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-2-adenin-9-yloctyl] ester Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(COS(=O)(=O)C1=CC=C(C=C1)C)N2C=NC3=C2N=CN=C3N

Isomeric SMILES

CCCCCC[C@H](COS(=O)(=O)C1=CC=C(C=C1)C)N2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C20H27N5O3S/c1-3-4-5-6-7-16(25-14-24-18-19(21)22-13-23-20(18)25)12-28-29(26,27)17-10-8-15(2)9-11-17/h8-11,13-14,16H,3-7,12H2,1-2H3,(H2,21,22,23)/t16-/m1/s1