tert-butyl 4-[7-(2-methoxyphenyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[7-(2-methoxyphenyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-(2-methoxyphenyl)-3-methyl-2,6-dioxo-purin-8-yl]piperazine-1-carboxylate CAS Name: 4-[7-(2-methoxyphenyl)-3-methyl-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-(2-methoxyphenyl)-3-methyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate Traditional Name: 4-[2,6-diketo-7-(2-methoxyphenyl)-3-methyl-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H28N6O5 MolecularWeight: 456.49492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(N2C4=CC=CC=C4OC)C(=O)NC(=O)N3C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(N2C4=CC=CC=C4OC)C(=O)NC(=O)N3C

InChI

InChI=1S/C22H28N6O5/c1-22(2,3)33-21(31)27-12-10-26(11-13-27)19-23-17-16(18(29)24-20(30)25(17)4)28(19)14-8-6-7-9-15(14)32-5/h6-9H,10-13H2,1-5H3,(H,24,29,30)