[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-oxidanyl-propyl] 2-(4-chloranylphenoxy)-2-methyl-propanoate

Systemtic Name: [3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-oxidanyl-propyl] 2-(4-chloranylphenoxy)-2-methyl-propanoate Openeye Name: [3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-2-hydroxy-propyl] 2-(4-chlorophenoxy)-2-methyl-propanoate CAS Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid [3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-2-hydroxypropyl] ester IUPAC Name: [3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl] 2-(4-chlorophenoxy)-2-methylpropanoate Traditional Name: 2-(4-chlorophenoxy)-2-methyl-propionic acid [3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-2-hydroxy-propyl] ester Formula: C20H23ClN4O6 MolecularWeight: 450.87282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)OCC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN4O6/c1-20(2,31-14-7-5-12(21)6-8-14)18(28)30-10-13(26)9-25-11-22-16-15(25)17(27)24(4)19(29)23(16)3/h5-8,11,13,26H,9-10H2,1-4H3