1-[2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)acetyl]piperidine-4-carboxamide CAS Name: 1-[2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)acetyl]isonipecotamide Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCC(CC4)C(=O)N

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C22H26N6O4/c1-2-25-14-24-20-18(25)21(31)28(22(32)27(20)12-15-6-4-3-5-7-15)13-17(29)26-10-8-16(9-11-26)19(23)30/h3-7,14,16H,2,8-13H2,1H3,(H2,23,30)