methyl 1-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]-5-(4-methoxyphenyl)pyrazole-3-carboxylate

Systemtic Name: methyl 1-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]-5-(4-methoxyphenyl)pyrazole-3-carboxylate Openeye Name: methyl 1-(1,3-dimethyl-2,6-dioxo-7-phenethyl-purin-8-yl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate CAS Name: 1-(1,3-dimethyl-2,6-dioxo-7-phenethyl-8-purinyl)-5-(4-methoxyphenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(1,3-dimethyl-2,6-dioxo-7-phenethylpurin-8-yl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate Traditional Name: 1-(2,6-diketo-1,3-dimethyl-7-phenethyl-purin-8-yl)-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid methyl ester Formula: C27H26N6O5 MolecularWeight: 514.53254

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3C(=CC(=N3)C(=O)OC)C4=CC=C(C=C4)OC)CCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3C(=CC(=N3)C(=O)OC)C4=CC=C(C=C4)OC)CCC5=CC=CC=C5

InChI

InChI=1S/C27H26N6O5/c1-30-23-22(24(34)31(2)27(30)36)32(15-14-17-8-6-5-7-9-17)26(28-23)33-21(16-20(29-33)25(35)38-4)18-10-12-19(37-3)13-11-18/h5-13,16H,14-15H2,1-4H3