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

Systemtic Name: methyl 2-[7-but-2-ynyl-1-(2-methoxy-2-oxidanylidene-ethyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]ethanoate Openeye Name: methyl 2-[7-but-2-ynyl-1-(2-methoxy-2-oxo-ethyl)-2,6-dioxo-8-piperazin-1-yl-purin-3-yl]acetate CAS Name: 2-[7-but-2-ynyl-1-(2-methoxy-2-oxoethyl)-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-[7-but-2-ynyl-1-(2-methoxy-2-oxoethyl)-2,6-dioxo-8-piperazin-1-ylpurin-3-yl]acetate Traditional Name: 2-[7-but-2-ynyl-2,6-diketo-1-(2-keto-2-methoxy-ethyl)-8-piperazino-purin-3-yl]acetic acid methyl ester Formula: C19H24N6O6 MolecularWeight: 432.43046

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)OC)CC(=O)OC

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)OC)CC(=O)OC

InChI

InChI=1S/C19H24N6O6/c1-4-5-8-23-15-16(21-18(23)22-9-6-20-7-10-22)24(11-13(26)30-2)19(29)25(17(15)28)12-14(27)31-3/h20H,6-12H2,1-3H3