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

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-N-methyl-N-[[2-(1-piperidyl)phenyl]methyl]acetamide CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)-N-methyl-N-[[2-(1-piperidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)-N-methyl-N-(2-piperidinobenzyl)acetamide Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N(C)CC3=CC=CC=C3N4CCCCC4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N(C)CC3=CC=CC=C3N4CCCCC4

InChI

InChI=1S/C22H28N6O3/c1-24(13-16-9-5-6-10-17(16)27-11-7-4-8-12-27)18(29)14-28-21(30)19-20(23-15-25(19)2)26(3)22(28)31/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3