2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(4-methyl-3-piperidinosulfonyl-phenyl)acetamide Formula: C21H26N6O5S MolecularWeight: 474.53334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H26N6O5S/c1-14-7-8-15(11-16(14)33(31,32)27-9-5-4-6-10-27)23-17(28)12-26-13-22-19-18(26)20(29)25(3)21(30)24(19)2/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H,23,28)