[7-butyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-8-yl]methyl 1-ethanoylpiperidine-3-carboxylate

Systemtic Name: [7-butyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-8-yl]methyl 1-ethanoylpiperidine-3-carboxylate Openeye Name: (3-benzyl-7-butyl-2,6-dioxo-purin-8-yl)methyl 1-acetylpiperidine-3-carboxylate CAS Name: 1-acetyl-3-piperidinecarboxylic acid [7-butyl-2,6-dioxo-3-(phenylmethyl)-8-purinyl]methyl ester IUPAC Name: (3-benzyl-7-butyl-2,6-dioxopurin-8-yl)methyl 1-acetylpiperidine-3-carboxylate Traditional Name: 1-acetylnipecotic acid (3-benzyl-7-butyl-2,6-diketo-purin-8-yl)methyl ester Formula: C25H31N5O5 MolecularWeight: 481.54414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)COC(=O)C4CCCN(C4)C(=O)C

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)COC(=O)C4CCCN(C4)C(=O)C

InChI

InChI=1S/C25H31N5O5/c1-3-4-13-29-20(16-35-24(33)19-11-8-12-28(15-19)17(2)31)26-22-21(29)23(32)27-25(34)30(22)14-18-9-6-5-7-10-18/h5-7,9-10,19H,3-4,8,11-16H2,1-2H3,(H,27,32,34)