(phenylmethyl) 4-[2-[2,6-bis(oxidanylidene)-9-propan-2-yl-3H-purin-8-yl]ethyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-[2,6-bis(oxidanylidene)-9-propan-2-yl-3H-purin-8-yl]ethyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[2-(9-isopropyl-2,6-dioxo-3H-purin-8-yl)ethyl]piperidine-1-carboxylate CAS Name: 4-[2-(2,6-dioxo-9-propan-2-yl-3H-purin-8-yl)ethyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-(2,6-dioxo-9-propan-2-yl-3H-purin-8-yl)ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-(9-isopropyl-2,6-diketo-3H-purin-8-yl)ethyl]piperidine-1-carboxylic acid benzyl ester Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NC2=C1NC(=O)NC2=O)CCC3CCN(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C(=NC2=C1NC(=O)NC2=O)CCC3CCN(CC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H29N5O4/c1-15(2)28-18(24-19-20(28)25-22(30)26-21(19)29)9-8-16-10-12-27(13-11-16)23(31)32-14-17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3,(H2,25,26,29,30)