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

Systemtic Name: O2-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[(3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl] ester O4-methyl ester IUPAC Name: 2-O-[(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl] 4-O-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl] ester O4-methyl ester Formula: C22H29N5O6 MolecularWeight: 459.49556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(C(=C(N3)CC)C(=O)OC)C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(C(=C(N3)CC)C(=O)OC)C)CC

InChI

InChI=1S/C22H29N5O6/c1-6-9-10-27-18-17(19(28)25-22(27)31)26(8-3)14(24-18)11-33-21(30)16-12(4)15(20(29)32-5)13(7-2)23-16/h23H,6-11H2,1-5H3,(H,25,28,31)