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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-(methoxymethyl)benzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 3-(methoxymethyl)benzoate CAS Name: 3-(methoxymethyl)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 3-(methoxymethyl)benzoate Traditional Name: 3-(methoxymethyl)benzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O5/c1-21-12-20-16-15(21)17(24)23(19(26)22(16)2)8-5-9-28-18(25)14-7-4-6-13(10-14)11-27-3/h4,6-7,10,12H,5,8-9,11H2,1-3H3