tert-butyl 4-[7-but-2-ynyl-3-(2-ethoxy-2-oxidanylidene-ethyl)-2,6-bis(oxidanylidene)-1-phenethyl-purin-8-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[7-but-2-ynyl-3-(2-ethoxy-2-oxidanylidene-ethyl)-2,6-bis(oxidanylidene)-1-phenethyl-purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-but-2-ynyl-3-(2-ethoxy-2-oxo-ethyl)-2,6-dioxo-1-phenethyl-purin-8-yl]piperazine-1-carboxylate CAS Name: 4-[7-but-2-ynyl-3-(2-ethoxy-2-oxoethyl)-2,6-dioxo-1-phenethyl-8-purinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-but-2-ynyl-3-(2-ethoxy-2-oxoethyl)-2,6-dioxo-1-phenethylpurin-8-yl]piperazine-1-carboxylate Traditional Name: 4-[7-but-2-ynyl-3-(2-ethoxy-2-keto-ethyl)-2,6-diketo-1-phenethyl-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C30H38N6O6 MolecularWeight: 578.65932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N(C(=N2)N4CCN(CC4)C(=O)OC(C)(C)C)CC#CC

Isomeric SMILES

CCOC(=O)CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N(C(=N2)N4CCN(CC4)C(=O)OC(C)(C)C)CC#CC

InChI

InChI=1S/C30H38N6O6/c1-6-8-15-34-24-25(31-27(34)32-17-19-33(20-18-32)29(40)42-30(3,4)5)36(21-23(37)41-7-2)28(39)35(26(24)38)16-14-22-12-10-9-11-13-22/h9-13H,7,14-21H2,1-5H3