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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 4-oxidanyl-4-(phenylmethyl)piperidine-1-carboxylate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl 4-benzyl-4-hydroxy-piperidine-1-carboxylate CAS Name: 4-hydroxy-4-(phenylmethyl)-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-benzyl-4-hydroxypiperidine-1-carboxylate Traditional Name: 4-benzyl-4-hydroxy-piperidine-1-carboxylic acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C22H27N5O5 MolecularWeight: 441.48028

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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)(CC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)N3CCC(CC3)(CC4=CC=CC=C4)O

InChI

InChI=1S/C22H27N5O5/c1-24-18-17(19(28)25(2)20(24)29)27(15-23-18)12-13-32-21(30)26-10-8-22(31,9-11-26)14-16-6-4-3-5-7-16/h3-7,15,31H,8-14H2,1-2H3