methyl 7-but-2-ynyl-3-(2-ethoxyethyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purine-1-carboxylate

Systemtic Name: methyl 7-but-2-ynyl-3-(2-ethoxyethyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purine-1-carboxylate Openeye Name: methyl 7-but-2-ynyl-3-(2-ethoxyethyl)-2,6-dioxo-8-piperazin-1-yl-purine-1-carboxylate CAS Name: 7-but-2-ynyl-3-(2-ethoxyethyl)-2,6-dioxo-8-(1-piperazinyl)-1-purinecarboxylic acid methyl ester IUPAC Name: methyl 7-but-2-ynyl-3-(2-ethoxyethyl)-2,6-dioxo-8-piperazin-1-ylpurine-1-carboxylate Traditional Name: 7-but-2-ynyl-3-(2-ethoxyethyl)-2,6-diketo-8-piperazino-purine-1-carboxylic acid methyl ester Formula: C19H26N6O5 MolecularWeight: 418.44694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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