ethyl 1-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)oxycyclopropane-1-carboxylate

Systemtic Name: ethyl 1-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)oxycyclopropane-1-carboxylate Openeye Name: ethyl 1-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-yl-purin-2-yl)oxycyclopropanecarboxylate CAS Name: 1-[[7-but-2-ynyl-1-methyl-6-oxo-8-(1-piperazinyl)-2-purinyl]oxy]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)oxycyclopropane-1-carboxylate Traditional Name: 1-(7-but-2-ynyl-6-keto-1-methyl-8-piperazino-purin-2-yl)oxycyclopropanecarboxylic acid ethyl ester Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC1)OC2=NC3=C(C(=O)N2C)N(C(=N3)N4CCNCC4)CC#CC

Isomeric SMILES

CCOC(=O)C1(CC1)OC2=NC3=C(C(=O)N2C)N(C(=N3)N4CCNCC4)CC#CC

InChI

InChI=1S/C20H26N6O4/c1-4-6-11-26-14-15(22-18(26)25-12-9-21-10-13-25)23-19(24(3)16(14)27)30-20(7-8-20)17(28)29-5-2/h21H,5,7-13H2,1-3H3