methyl 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]oxybenzoate

Systemtic Name: methyl 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]oxybenzoate Openeye Name: methyl 4-(7-benzyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)oxybenzoate CAS Name: 4-[[1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)oxybenzoate Traditional Name: 4-(7-benzyl-2,6-diketo-1,3-dimethyl-purin-8-yl)oxybenzoic acid methyl ester Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)C(=O)OC)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)C(=O)OC)CC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O5/c1-24-18-17(19(27)25(2)22(24)29)26(13-14-7-5-4-6-8-14)21(23-18)31-16-11-9-15(10-12-16)20(28)30-3/h4-12H,13H2,1-3H3