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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-(phenoxymethyl)benzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-(phenoxymethyl)benzoate CAS Name: 2-(phenoxymethyl)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-(phenoxymethyl)benzoate Traditional Name: 2-(phenoxymethyl)benzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C24H24N4O5 MolecularWeight: 448.47116

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC=CC=C3COC4=CC=CC=C4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC=CC=C3COC4=CC=CC=C4

InChI

InChI=1S/C24H24N4O5/c1-26-16-25-21-20(26)22(29)28(24(31)27(21)2)13-8-14-32-23(30)19-12-7-6-9-17(19)15-33-18-10-4-3-5-11-18/h3-7,9-12,16H,8,13-15H2,1-2H3