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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-(oxolan-2-ylmethoxy)benzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-(tetrahydrofuran-2-ylmethoxy)benzoate CAS Name: 2-(2-oxolanylmethoxy)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 2-(oxolan-2-ylmethoxy)benzoate Traditional Name: 2-(tetrahydrofurfuryloxy)benzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C22H26N4O6 MolecularWeight: 442.46504

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC=CC=C3OCC4CCCO4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC=CC=C3OCC4CCCO4

InChI

InChI=1S/C22H26N4O6/c1-24-14-23-19-18(24)20(27)26(22(29)25(19)2)10-6-12-31-21(28)16-8-3-4-9-17(16)32-13-15-7-5-11-30-15/h3-4,8-9,14-15H,5-7,10-13H2,1-2H3