4-[9-(4-methylsulfonylphenyl)purin-6-yl]oxypiperidine-1-carboxylic acid

Systemtic Name: 4-[9-(4-methylsulfonylphenyl)purin-6-yl]oxypiperidine-1-carboxylic acid Openeye Name: 4-[9-(4-methylsulfonylphenyl)purin-6-yl]oxypiperidine-1-carboxylic acid CAS Name: 4-[[9-(4-methylsulfonylphenyl)-6-purinyl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[9-(4-methylsulfonylphenyl)purin-6-yl]oxypiperidine-1-carboxylic acid Traditional Name: 4-[9-(4-mesylphenyl)purin-6-yl]oxypiperidine-1-carboxylic acid Formula: C18H19N5O5S MolecularWeight: 417.43896

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C=NC3=C2N=CN=C3OC4CCN(CC4)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C=NC3=C2N=CN=C3OC4CCN(CC4)C(=O)O

InChI

InChI=1S/C18H19N5O5S/c1-29(26,27)14-4-2-12(3-5-14)23-11-21-15-16(23)19-10-20-17(15)28-13-6-8-22(9-7-13)18(24)25/h2-5,10-11,13H,6-9H2,1H3,(H,24,25)