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

Systemtic Name: [7-but-2-ynyl-1-(2-ethoxyethyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl] propanoate Openeye Name: [7-but-2-ynyl-1-(2-ethoxyethyl)-2,6-dioxo-8-piperazin-1-yl-purin-3-yl] propanoate CAS Name: propanoic acid [7-but-2-ynyl-1-(2-ethoxyethyl)-2,6-dioxo-8-(1-piperazinyl)-3-purinyl] ester IUPAC Name: [7-but-2-ynyl-1-(2-ethoxyethyl)-2,6-dioxo-8-piperazin-1-ylpurin-3-yl] propanoate Traditional Name: propionic acid [7-but-2-ynyl-1-(2-ethoxyethyl)-2,6-diketo-8-piperazino-purin-3-yl] ester Formula: C20H28N6O5 MolecularWeight: 432.47352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)ON1C2=C(C(=O)N(C1=O)CCOCC)N(C(=N2)N3CCNCC3)CC#CC

Isomeric SMILES

CCC(=O)ON1C2=C(C(=O)N(C1=O)CCOCC)N(C(=N2)N3CCNCC3)CC#CC

InChI

InChI=1S/C20H28N6O5/c1-4-7-10-24-16-17(22-19(24)23-11-8-21-9-12-23)26(31-15(27)5-2)20(29)25(18(16)28)13-14-30-6-3/h21H,5-6,8-14H2,1-3H3