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

Systemtic Name: methyl 2-[[1-cyclopentyl-3-(3-methoxyphenyl)-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzoate Openeye Name: methyl 2-[[1-cyclopentyl-3-(3-methoxyphenyl)-2,6-dioxo-purin-7-yl]methyl]benzoate CAS Name: 2-[[1-cyclopentyl-3-(3-methoxyphenyl)-2,6-dioxo-7-purinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-cyclopentyl-3-(3-methoxyphenyl)-2,6-dioxopurin-7-yl]methyl]benzoate Traditional Name: 2-[[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=CC=C5C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)N2C3=C(C(=O)N(C2=O)C4CCCC4)N(C=N3)CC5=CC=CC=C5C(=O)OC

InChI

InChI=1S/C26H26N4O5/c1-34-20-12-7-11-19(14-20)29-23-22(24(31)30(26(29)33)18-9-4-5-10-18)28(16-27-23)15-17-8-3-6-13-21(17)25(32)35-2/h3,6-8,11-14,16,18H,4-5,9-10,15H2,1-2H3