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

Systemtic Name: methyl 2-[[1-cyclopropyl-3-(3-methoxyphenyl)-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzoate Openeye Name: methyl 2-[[1-cyclopropyl-3-(3-methoxyphenyl)-2,6-dioxo-purin-7-yl]methyl]benzoate CAS Name: 2-[[1-cyclopropyl-3-(3-methoxyphenyl)-2,6-dioxo-7-purinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-cyclopropyl-3-(3-methoxyphenyl)-2,6-dioxopurin-7-yl]methyl]benzoate Traditional Name: 2-[[1-cyclopropyl-2,6-diketo-3-(3-methoxyphenyl)purin-7-yl]methyl]benzoic acid methyl ester Formula: C24H22N4O5 MolecularWeight: 446.45528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C3=C(C(=O)N(C2=O)C4CC4)N(C=N3)CC5=CC=CC=C5C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)N2C3=C(C(=O)N(C2=O)C4CC4)N(C=N3)CC5=CC=CC=C5C(=O)OC

InChI

InChI=1S/C24H22N4O5/c1-32-18-8-5-7-17(12-18)27-21-20(22(29)28(24(27)31)16-10-11-16)26(14-25-21)13-15-6-3-4-9-19(15)23(30)33-2/h3-9,12,14,16H,10-11,13H2,1-2H3