[7-(2-methoxyethyl)-2,6-bis(oxidanylidene)-3-propyl-purin-8-yl]methyl 4-phenylmethoxybenzoate

Systemtic Name: [7-(2-methoxyethyl)-2,6-bis(oxidanylidene)-3-propyl-purin-8-yl]methyl 4-phenylmethoxybenzoate Openeye Name: [7-(2-methoxyethyl)-2,6-dioxo-3-propyl-purin-8-yl]methyl 4-benzyloxybenzoate CAS Name: 4-phenylmethoxybenzoic acid [7-(2-methoxyethyl)-2,6-dioxo-3-propyl-8-purinyl]methyl ester IUPAC Name: [7-(2-methoxyethyl)-2,6-dioxo-3-propylpurin-8-yl]methyl 4-phenylmethoxybenzoate Traditional Name: 4-benzoxybenzoic acid [2,6-diketo-7-(2-methoxyethyl)-3-propyl-purin-8-yl]methyl ester Formula: C26H28N4O6 MolecularWeight: 492.52372

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)CCOC

InChI

InChI=1S/C26H28N4O6/c1-3-13-30-23-22(24(31)28-26(30)33)29(14-15-34-2)21(27-23)17-36-25(32)19-9-11-20(12-10-19)35-16-18-7-5-4-6-8-18/h4-12H,3,13-17H2,1-2H3,(H,28,31,33)