ethyl 2-[7-but-2-ynyl-2,6-bis(oxidanylidene)-1-(2-phenoxyethyl)-8-piperazin-1-yl-purin-3-yl]ethanoate

Systemtic Name: ethyl 2-[7-but-2-ynyl-2,6-bis(oxidanylidene)-1-(2-phenoxyethyl)-8-piperazin-1-yl-purin-3-yl]ethanoate Openeye Name: ethyl 2-[7-but-2-ynyl-2,6-dioxo-1-(2-phenoxyethyl)-8-piperazin-1-yl-purin-3-yl]acetate CAS Name: 2-[7-but-2-ynyl-2,6-dioxo-1-(2-phenoxyethyl)-8-(1-piperazinyl)-3-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-but-2-ynyl-2,6-dioxo-1-(2-phenoxyethyl)-8-piperazin-1-ylpurin-3-yl]acetate Traditional Name: 2-[7-but-2-ynyl-2,6-diketo-1-(2-phenoxyethyl)-8-piperazino-purin-3-yl]acetic acid ethyl ester Formula: C25H30N6O5 MolecularWeight: 494.5429

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C(=O)N(C1=O)CCOC3=CC=CC=C3)N(C(=N2)N4CCNCC4)CC#CC

Isomeric SMILES

CCOC(=O)CN1C2=C(C(=O)N(C1=O)CCOC3=CC=CC=C3)N(C(=N2)N4CCNCC4)CC#CC

InChI

InChI=1S/C25H30N6O5/c1-3-5-13-29-21-22(27-24(29)28-14-11-26-12-15-28)31(18-20(32)35-4-2)25(34)30(23(21)33)16-17-36-19-9-7-6-8-10-19/h6-10,26H,4,11-18H2,1-2H3