1-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]-N-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[(3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[(3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[(3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl]-N-phenyl-isonipecotamide Formula: C24H32N6O3 MolecularWeight: 452.54928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCC(CC3)C(=O)NC4=CC=CC=C4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCC(CC3)C(=O)NC4=CC=CC=C4)CC

InChI

InChI=1S/C24H32N6O3/c1-3-5-13-30-21-20(23(32)27-24(30)33)29(4-2)19(26-21)16-28-14-11-17(12-15-28)22(31)25-18-9-7-6-8-10-18/h6-10,17H,3-5,11-16H2,1-2H3,(H,25,31)(H,27,32,33)