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

Systemtic Name: tert-butyl 4-[7-but-2-ynyl-3-(2-ethoxyethyl)-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-but-2-ynyl-3-(2-ethoxyethyl)-2,6-dioxo-purin-8-yl]piperazine-1-carboxylate CAS Name: 4-[7-but-2-ynyl-3-(2-ethoxyethyl)-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-but-2-ynyl-3-(2-ethoxyethyl)-2,6-dioxopurin-8-yl]piperazine-1-carboxylate Traditional Name: 4-[7-but-2-ynyl-3-(2-ethoxyethyl)-2,6-diketo-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H32N6O5 MolecularWeight: 460.52668

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C(=O)OC(C)(C)C)CC#CC

Isomeric SMILES

CCOCCN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C(=O)OC(C)(C)C)CC#CC

InChI

InChI=1S/C22H32N6O5/c1-6-8-9-27-16-17(28(14-15-32-7-2)20(30)24-18(16)29)23-19(27)25-10-12-26(13-11-25)21(31)33-22(3,4)5/h7,9-15H2,1-5H3,(H,24,29,30)