7-but-2-ynyl-3-methyl-1-(2-phenylmethoxyethyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-but-2-ynyl-3-methyl-1-(2-phenylmethoxyethyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 1-(2-benzyloxyethyl)-7-but-2-ynyl-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-but-2-ynyl-3-methyl-1-(2-phenylmethoxyethyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-3-methyl-1-(2-phenylmethoxyethyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1-(2-benzoxyethyl)-7-but-2-ynyl-3-methyl-8-piperazino-xanthine Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCOCC4=CC=CC=C4)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCOCC4=CC=CC=C4)C

InChI

InChI=1S/C23H28N6O3/c1-3-4-12-28-19-20(25-22(28)27-13-10-24-11-14-27)26(2)23(31)29(21(19)30)15-16-32-17-18-8-6-5-7-9-18/h5-9,24H,10-17H2,1-2H3