1-[3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl]-N-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-[3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl]-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl]-N-phenyl-isonipecotamide Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3CCC(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3CCC(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H28N6O3/c1-25-15-23-19-18(25)21(30)28(22(31)26(19)2)12-6-11-27-13-9-16(10-14-27)20(29)24-17-7-4-3-5-8-17/h3-5,7-8,15-16H,6,9-14H2,1-2H3,(H,24,29)