3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-(phenoxymethyl)furan-2-carboxylate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-(phenoxymethyl)furan-2-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 3-(phenoxymethyl)furan-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-furancarboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 3-(phenoxymethyl)furan-2-carboxylate Traditional Name: 3-(phenoxymethyl)furan-2-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=C(C=CO3)COC4=CC=CC=C4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=C(C=CO3)COC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O6/c1-24-14-23-19-17(24)20(27)26(22(29)25(19)2)10-6-11-31-21(28)18-15(9-12-30-18)13-32-16-7-4-3-5-8-16/h3-5,7-9,12,14H,6,10-11,13H2,1-2H3