3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-(4-ethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C23H27N5O5 MolecularWeight: 453.49098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C23H27N5O5/c1-4-15-6-8-17(9-7-15)28-13-16(12-18(28)29)22(31)33-11-5-10-27-21(30)19-20(24-14-25(19)2)26(3)23(27)32/h6-9,14,16H,4-5,10-13H2,1-3H3