2-(7-but-2-ynyl-6-oxidanylidene-1-phenethyl-8-piperazin-1-yl-purin-2-yl)-2-(methylamino)ethanoic acid

Systemtic Name: 2-(7-but-2-ynyl-6-oxidanylidene-1-phenethyl-8-piperazin-1-yl-purin-2-yl)-2-(methylamino)ethanoic acid Openeye Name: 2-(7-but-2-ynyl-6-oxo-1-phenethyl-8-piperazin-1-yl-purin-2-yl)-2-(methylamino)acetic acid CAS Name: 2-[7-but-2-ynyl-6-oxo-1-phenethyl-8-(1-piperazinyl)-2-purinyl]-2-(methylamino)acetic acid IUPAC Name: 2-(7-but-2-ynyl-6-oxo-1-phenethyl-8-piperazin-1-ylpurin-2-yl)-2-(methylamino)acetic acid Traditional Name: 2-(7-but-2-ynyl-6-keto-1-phenethyl-8-piperazino-purin-2-yl)-2-(methylamino)acetic acid Formula: C24H29N7O3 MolecularWeight: 463.53216

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N(C2=O)CCC3=CC=CC=C3)C(C(=O)O)NC)N=C1N4CCNCC4

Isomeric SMILES

CC#CCN1C2=C(N=C(N(C2=O)CCC3=CC=CC=C3)C(C(=O)O)NC)N=C1N4CCNCC4

InChI

InChI=1S/C24H29N7O3/c1-3-4-13-30-19-20(28-24(30)29-15-11-26-12-16-29)27-21(18(25-2)23(33)34)31(22(19)32)14-10-17-8-6-5-7-9-17/h5-9,18,25-26H,10-16H2,1-2H3,(H,33,34)