[(1R,2R)-2-[[1-ethyl-6-oxidanylidene-8,9-bis(phenylmethyl)purin-2-yl]amino]cyclopentyl] methanesulfonate

Systemtic Name: [(1R,2R)-2-[[1-ethyl-6-oxidanylidene-8,9-bis(phenylmethyl)purin-2-yl]amino]cyclopentyl] methanesulfonate Openeye Name: [(1R,2R)-2-[(8,9-dibenzyl-1-ethyl-6-oxo-purin-2-yl)amino]cyclopentyl] methanesulfonate CAS Name: methanesulfonic acid [(1R,2R)-2-[[1-ethyl-6-oxo-8,9-bis(phenylmethyl)-2-purinyl]amino]cyclopentyl] ester IUPAC Name: [(1R,2R)-2-[(8,9-dibenzyl-1-ethyl-6-oxopurin-2-yl)amino]cyclopentyl] methanesulfonate Traditional Name: methanesulfonic acid [(1R,2R)-2-[(8,9-dibenzyl-1-ethyl-6-keto-purin-2-yl)amino]cyclopentyl] ester Formula: C27H31N5O4S MolecularWeight: 521.63114

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1NC3CCCC3OS(=O)(=O)C)N(C(=N2)CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCN1C(=O)C2=C(N=C1N[C@@H]3CCC[C@H]3OS(=O)(=O)C)N(C(=N2)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H31N5O4S/c1-3-31-26(33)24-25(30-27(31)28-21-15-10-16-22(21)36-37(2,34)35)32(18-20-13-8-5-9-14-20)23(29-24)17-19-11-6-4-7-12-19/h4-9,11-14,21-22H,3,10,15-18H2,1-2H3,(H,28,30)/t21-,22-/m1/s1