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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-(4-cyanophenoxy)ethanoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-(4-cyanophenoxy)acetate CAS Name: 2-(4-cyanophenoxy)acetic 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-(4-cyanophenoxy)acetate Traditional Name: 2-(4-cyanophenoxy)acetic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C19H19N5O5 MolecularWeight: 397.38466

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)COC3=CC=C(C=C3)C#N

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H19N5O5/c1-22-12-21-17-16(22)18(26)24(19(27)23(17)2)8-3-9-28-15(25)11-29-14-6-4-13(10-20)5-7-14/h4-7,12H,3,8-9,11H2,1-2H3