2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-N-[3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)-N-(3-piperidinosulfonylphenyl)acetamide Formula: C20H24N6O5S MolecularWeight: 460.50676

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C20H24N6O5S/c1-23-13-21-18-17(23)19(28)26(20(29)24(18)2)12-16(27)22-14-7-6-8-15(11-14)32(30,31)25-9-4-3-5-10-25/h6-8,11,13H,3-5,9-10,12H2,1-2H3,(H,22,27)