methyl 4-[[1-cyclopentyl-3-(3-methoxyphenyl)-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzoate

Systemtic Name: methyl 4-[[1-cyclopentyl-3-(3-methoxyphenyl)-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzoate Openeye Name: methyl 4-[[1-cyclopentyl-3-(3-methoxyphenyl)-2,6-dioxo-purin-7-yl]methyl]benzoate CAS Name: 4-[[1-cyclopentyl-3-(3-methoxyphenyl)-2,6-dioxo-7-purinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-cyclopentyl-3-(3-methoxyphenyl)-2,6-dioxopurin-7-yl]methyl]benzoate Traditional Name: 4-[[1-cyclopentyl-2,6-diketo-3-(3-methoxyphenyl)purin-7-yl]methyl]benzoic acid methyl ester Formula: C26H26N4O5 MolecularWeight: 474.50844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C3=C(C(=O)N(C2=O)C4CCCC4)N(C=N3)CC5=CC=C(C=C5)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)N2C3=C(C(=O)N(C2=O)C4CCCC4)N(C=N3)CC5=CC=C(C=C5)C(=O)OC

InChI

InChI=1S/C26H26N4O5/c1-34-21-9-5-8-20(14-21)29-23-22(24(31)30(26(29)33)19-6-3-4-7-19)28(16-27-23)15-17-10-12-18(13-11-17)25(32)35-2/h5,8-14,16,19H,3-4,6-7,15H2,1-2H3