O4-[[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl] O1-ethyl piperidine-1,4-dicarboxylate

Systemtic Name: O4-[[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl] O1-ethyl piperidine-1,4-dicarboxylate Openeye Name: O4-[(3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl] O1-ethyl piperidine-1,4-dicarboxylate CAS Name: piperidine-1,4-dicarboxylic acid O4-[(3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl] ester O1-ethyl ester IUPAC Name: 4-O-[(3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl] 1-O-ethyl piperidine-1,4-dicarboxylate Traditional Name: piperidine-1,4-dicarboxylic acid O4-[(3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl] ester O1-ethyl ester Formula: C22H33N5O6 MolecularWeight: 463.52732

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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)OCC)CCC

Isomeric SMILES

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

InChI

InChI=1S/C22H33N5O6/c1-4-7-11-27-18-17(19(28)24-21(27)30)26(10-5-2)16(23-18)14-33-20(29)15-8-12-25(13-9-15)22(31)32-6-3/h15H,4-14H2,1-3H3,(H,24,28,30)