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

Systemtic Name: 2-[7-but-2-ynyl-1-(2-ethoxyethyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]ethanoic acid Openeye Name: 2-[7-but-2-ynyl-1-(2-ethoxyethyl)-2,6-dioxo-8-piperazin-1-yl-purin-3-yl]acetic acid CAS Name: 2-[7-but-2-ynyl-1-(2-ethoxyethyl)-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]acetic acid IUPAC Name: 2-[7-but-2-ynyl-1-(2-ethoxyethyl)-2,6-dioxo-8-piperazin-1-ylpurin-3-yl]acetic acid Traditional Name: 2-[7-but-2-ynyl-1-(2-ethoxyethyl)-2,6-diketo-8-piperazino-purin-3-yl]acetic acid Formula: C19H26N6O5 MolecularWeight: 418.44694

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C(=O)C2=C(N=C(N2CC#CC)N3CCNCC3)N(C1=O)CC(=O)O

Isomeric SMILES

CCOCCN1C(=O)C2=C(N=C(N2CC#CC)N3CCNCC3)N(C1=O)CC(=O)O

InChI

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