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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 2-(4-chloranylphenoxy)-2-methyl-propanoate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl 2-(4-chlorophenoxy)-2-methyl-propanoate CAS Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate Traditional Name: 2-(4-chlorophenoxy)-2-methyl-propionic acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C19H21ClN4O5 MolecularWeight: 420.84684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)OCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN4O5/c1-19(2,29-13-7-5-12(20)6-8-13)17(26)28-10-9-24-11-21-15-14(24)16(25)23(4)18(27)22(15)3/h5-8,11H,9-10H2,1-4H3