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

Systemtic Name: [2-(4-chloranylphenoxy)-2-methyl-propyl] 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: [2-(4-chlorophenoxy)-2-methyl-propyl] 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid [2-(4-chlorophenoxy)-2-methylpropyl] ester IUPAC Name: [2-(4-chlorophenoxy)-2-methylpropyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid [2-(4-chlorophenoxy)-2-methyl-propyl] ester Formula: C19H21ClN4O5 MolecularWeight: 420.84684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(COC(=O)CN1C=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)10-28-14(25)9-24-11-21-16-15(24)17(26)23(4)18(27)22(16)3/h5-8,11H,9-10H2,1-4H3