ethyl 7-but-2-ynyl-2,6-bis(oxidanylidene)-1-(2-phenoxyethyl)-8-piperazin-1-yl-purine-3-carboxylate

Systemtic Name: ethyl 7-but-2-ynyl-2,6-bis(oxidanylidene)-1-(2-phenoxyethyl)-8-piperazin-1-yl-purine-3-carboxylate Openeye Name: ethyl 7-but-2-ynyl-2,6-dioxo-1-(2-phenoxyethyl)-8-piperazin-1-yl-purine-3-carboxylate CAS Name: 7-but-2-ynyl-2,6-dioxo-1-(2-phenoxyethyl)-8-(1-piperazinyl)-3-purinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-but-2-ynyl-2,6-dioxo-1-(2-phenoxyethyl)-8-piperazin-1-ylpurine-3-carboxylate Traditional Name: 7-but-2-ynyl-2,6-diketo-1-(2-phenoxyethyl)-8-piperazino-purine-3-carboxylic acid ethyl ester Formula: C24H28N6O5 MolecularWeight: 480.51632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=C(C(=O)N(C1=O)CCOC3=CC=CC=C3)N(C(=N2)N4CCNCC4)CC#CC

Isomeric SMILES

CCOC(=O)N1C2=C(C(=O)N(C1=O)CCOC3=CC=CC=C3)N(C(=N2)N4CCNCC4)CC#CC

InChI

InChI=1S/C24H28N6O5/c1-3-5-13-28-19-20(26-22(28)27-14-11-25-12-15-27)30(24(33)34-4-2)23(32)29(21(19)31)16-17-35-18-9-7-6-8-10-18/h6-10,25H,4,11-17H2,1-2H3