3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-piperidin-1-ylsulfonylbenzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C22H27N5O6S MolecularWeight: 489.54468

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC=CC=C3S(=O)(=O)N4CCCCC4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC=CC=C3S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H27N5O6S/c1-24-15-23-19-18(24)20(28)27(22(30)25(19)2)13-8-14-33-21(29)16-9-4-5-10-17(16)34(31,32)26-11-6-3-7-12-26/h4-5,9-10,15H,3,6-8,11-14H2,1-2H3