methyl 5-[[1-cyclopentyl-3-(2-methylphenyl)-2,6-bis(oxidanylidene)purin-7-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[1-cyclopentyl-3-(2-methylphenyl)-2,6-bis(oxidanylidene)purin-7-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[1-cyclopentyl-3-(o-tolyl)-2,6-dioxo-purin-7-yl]methyl]furan-2-carboxylate CAS Name: 5-[[1-cyclopentyl-3-(2-methylphenyl)-2,6-dioxo-7-purinyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[1-cyclopentyl-3-(2-methylphenyl)-2,6-dioxopurin-7-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[1-cyclopentyl-2,6-diketo-3-(o-tolyl)purin-7-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C24H24N4O5 MolecularWeight: 448.47116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)C4CCCC4)N(C=N3)CC5=CC=C(O5)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)C4CCCC4)N(C=N3)CC5=CC=C(O5)C(=O)OC

InChI

InChI=1S/C24H24N4O5/c1-15-7-3-6-10-18(15)28-21-20(22(29)27(24(28)31)16-8-4-5-9-16)26(14-25-21)13-17-11-12-19(33-17)23(30)32-2/h3,6-7,10-12,14,16H,4-5,8-9,13H2,1-2H3