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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)cyclopentane-1-carboxylate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 1-(2-morpholino-2-oxo-ethyl)cyclopentanecarboxylate CAS Name: 1-[2-(4-morpholinyl)-2-oxoethyl]-1-cyclopentanecarboxylic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate Traditional Name: 1-(2-keto-2-morpholino-ethyl)cyclopentanecarboxylic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C23H33N5O6 MolecularWeight: 475.53802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3(CCCC3)CC(=O)N4CCOCC4)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3(CCCC3)CC(=O)N4CCOCC4)C

InChI

InChI=1S/C23H33N5O6/c1-3-4-9-28-19-18(20(30)25-22(28)32)26(2)16(24-19)15-34-21(31)23(7-5-6-8-23)14-17(29)27-10-12-33-13-11-27/h3-15H2,1-2H3,(H,25,30,32)