2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 4-(phenylcarbonyl)piperidine-1-carboxylate

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 4-(phenylcarbonyl)piperidine-1-carboxylate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl 4-benzoylpiperidine-1-carboxylate CAS Name: 4-benzoyl-1-piperidinecarboxylic acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 4-benzoylpiperidine-1-carboxylate Traditional Name: 4-benzoylpiperidine-1-carboxylic acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)N3CCC(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)N3CCC(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O5/c1-24-19-17(20(29)25(2)21(24)30)27(14-23-19)12-13-32-22(31)26-10-8-16(9-11-26)18(28)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3