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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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