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

Systemtic Name: [7-but-2-ynyl-3-(2-ethoxyethyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl] ethanoate Openeye Name: [7-but-2-ynyl-3-(2-ethoxyethyl)-2,6-dioxo-8-piperazin-1-yl-purin-1-yl] acetate CAS Name: acetic acid [7-but-2-ynyl-3-(2-ethoxyethyl)-2,6-dioxo-8-(1-piperazinyl)-1-purinyl] ester IUPAC Name: [7-but-2-ynyl-3-(2-ethoxyethyl)-2,6-dioxo-8-piperazin-1-ylpurin-1-yl] acetate Traditional Name: acetic acid [7-but-2-ynyl-3-(2-ethoxyethyl)-2,6-diketo-8-piperazino-purin-1-yl] ester Formula: C19H26N6O5 MolecularWeight: 418.44694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C(=O)N(C1=O)OC(=O)C)N(C(=N2)N3CCNCC3)CC#CC

Isomeric SMILES

CCOCCN1C2=C(C(=O)N(C1=O)OC(=O)C)N(C(=N2)N3CCNCC3)CC#CC

InChI

InChI=1S/C19H26N6O5/c1-4-6-9-23-15-16(21-18(23)22-10-7-20-8-11-22)24(12-13-29-5-2)19(28)25(17(15)27)30-14(3)26/h20H,5,7-13H2,1-3H3