3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 4-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-(2-oxo-1-pyrrolidinyl)benzoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 4-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-(2-ketopyrrolidino)benzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC=C(C=C3)N4CCCC4=O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C21H23N5O5/c1-23-13-22-18-17(23)19(28)26(21(30)24(18)2)11-4-12-31-20(29)14-6-8-15(9-7-14)25-10-3-5-16(25)27/h6-9,13H,3-5,10-12H2,1-2H3