2-[7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]-N-phenyl-ethanamide Openeye Name: 2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-1-yl)-N-phenyl-acetamide CAS Name: 2-[7-but-2-ynyl-3-methyl-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]-N-phenylacetamide IUPAC Name: 2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)-N-phenylacetamide Traditional Name: 2-(7-but-2-ynyl-2,6-diketo-3-methyl-8-piperazino-purin-1-yl)-N-phenyl-acetamide Formula: C22H25N7O3 MolecularWeight: 435.479

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C22H25N7O3/c1-3-4-12-28-18-19(25-21(28)27-13-10-23-11-14-27)26(2)22(32)29(20(18)31)15-17(30)24-16-8-6-5-7-9-16/h5-9,23H,10-15H2,1-2H3,(H,24,30)