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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 4-(phenylmethyl)piperidine-1-carboxylate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl 4-benzylpiperidine-1-carboxylate CAS Name: 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-benzylpiperidine-1-carboxylate Traditional Name: 4-benzylpiperidine-1-carboxylic acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C22H27N5O4 MolecularWeight: 425.48088

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O4/c1-24-19-18(20(28)25(2)21(24)29)27(15-23-19)12-13-31-22(30)26-10-8-17(9-11-26)14-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3