(2-cyanophenyl)methyl 2-[7-(2-methoxyethyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanoate

Systemtic Name: (2-cyanophenyl)methyl 2-[7-(2-methoxyethyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanoate Openeye Name: (2-cyanophenyl)methyl 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-purin-1-yl]acetate CAS Name: 2-[7-(2-methoxyethyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]acetate Traditional Name: 2-[3-benzyl-2,6-diketo-7-(2-methoxyethyl)purin-1-yl]acetic acid (2-cyanobenzyl) ester Formula: C25H23N5O5 MolecularWeight: 473.48062

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4C#N

Isomeric SMILES

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4C#N

InChI

InChI=1S/C25H23N5O5/c1-34-12-11-28-17-27-23-22(28)24(32)30(25(33)29(23)14-18-7-3-2-4-8-18)15-21(31)35-16-20-10-6-5-9-19(20)13-26/h2-10,17H,11-12,14-16H2,1H3