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

Systemtic Name: [7-but-2-ynyl-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purin-3-yl] ethanoate Openeye Name: (7-but-2-ynyl-2,6-dioxo-1-phenethyl-8-piperazin-1-yl-purin-3-yl) acetate CAS Name: acetic acid [7-but-2-ynyl-2,6-dioxo-1-phenethyl-8-(1-piperazinyl)-3-purinyl] ester IUPAC Name: (7-but-2-ynyl-2,6-dioxo-1-phenethyl-8-piperazin-1-ylpurin-3-yl) acetate Traditional Name: acetic acid (7-but-2-ynyl-2,6-diketo-1-phenethyl-8-piperazino-purin-3-yl) ester Formula: C23H26N6O4 MolecularWeight: 450.49034

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCC4=CC=CC=C4)OC(=O)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCC4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C23H26N6O4/c1-3-4-13-27-19-20(25-22(27)26-15-11-24-12-16-26)29(33-17(2)30)23(32)28(21(19)31)14-10-18-8-6-5-7-9-18/h5-9,24H,10-16H2,1-2H3