O4-[[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-[[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[(3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[(3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl] ester O2-ethyl ester IUPAC Name: 4-O-[(3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[(3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl] ester O2-ethyl ester Formula: C23H31N5O6 MolecularWeight: 473.52214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(NC(=C3C)C(=O)OCC)C)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(NC(=C3C)C(=O)OCC)C)CCC

InChI

InChI=1S/C23H31N5O6/c1-6-9-11-28-19-18(20(29)26-23(28)32)27(10-7-2)15(25-19)12-34-21(30)16-13(4)17(24-14(16)5)22(31)33-8-3/h24H,6-12H2,1-5H3,(H,26,29,32)