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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)ON1C(=O)C2=C(N=C(N2CC#CC)N3CCNCC3)N(C1=O)CCOCC

Isomeric SMILES

CCC(=O)ON1C(=O)C2=C(N=C(N2CC#CC)N3CCNCC3)N(C1=O)CCOCC

InChI

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