[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate CAS Name: 1-(2,2-dimethyl-1-oxopropyl)-4-piperidinecarboxylic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate Traditional Name: 1-pivaloylisonipecotic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C23H35N5O5 MolecularWeight: 461.5545

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3CCN(CC3)C(=O)C(C)(C)C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3CCN(CC3)C(=O)C(C)(C)C)CC

InChI

InChI=1S/C23H35N5O5/c1-6-8-11-28-18-17(19(29)25-22(28)32)27(7-2)16(24-18)14-33-20(30)15-9-12-26(13-10-15)21(31)23(3,4)5/h15H,6-14H2,1-5H3,(H,25,29,32)