[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(4-cyanophenoxy)ethanoate

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(4-cyanophenoxy)ethanoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 2-(4-cyanophenoxy)acetate CAS Name: 2-(4-cyanophenoxy)acetic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 2-(4-cyanophenoxy)acetate Traditional Name: 2-(4-cyanophenoxy)acetic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)COC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)COC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C20H21N5O5/c1-3-4-9-25-18-17(19(27)23-20(25)28)24(2)15(22-18)11-30-16(26)12-29-14-7-5-13(10-21)6-8-14/h5-8H,3-4,9,11-12H2,1-2H3,(H,23,27,28)