methyl 2-[[1-ethyl-3-(2-methoxyphenyl)-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzoate

Systemtic Name: methyl 2-[[1-ethyl-3-(2-methoxyphenyl)-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzoate Openeye Name: methyl 2-[[1-ethyl-3-(2-methoxyphenyl)-2,6-dioxo-purin-7-yl]methyl]benzoate CAS Name: 2-[[1-ethyl-3-(2-methoxyphenyl)-2,6-dioxo-7-purinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-ethyl-3-(2-methoxyphenyl)-2,6-dioxopurin-7-yl]methyl]benzoate Traditional Name: 2-[[1-ethyl-2,6-diketo-3-(2-methoxyphenyl)purin-7-yl]methyl]benzoic acid methyl ester Formula: C23H22N4O5 MolecularWeight: 434.44458

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3C(=O)OC)N(C1=O)C4=CC=CC=C4OC

Isomeric SMILES

CCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3C(=O)OC)N(C1=O)C4=CC=CC=C4OC

InChI

InChI=1S/C23H22N4O5/c1-4-26-21(28)19-20(27(23(26)30)17-11-7-8-12-18(17)31-2)24-14-25(19)13-15-9-5-6-10-16(15)22(29)32-3/h5-12,14H,4,13H2,1-3H3