3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C19H20N4O6 MolecularWeight: 400.3853

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H20N4O6/c1-21-11-20-16-15(21)17(24)23(19(26)22(16)2)6-3-7-29-18(25)12-4-5-13-14(10-12)28-9-8-27-13/h4-5,10-11H,3,6-9H2,1-2H3