7-but-2-ynyl-2-(2-hydroxyethyloxy)-1-phenethyl-8-piperazin-1-yl-purin-6-one

Systemtic Name: 7-but-2-ynyl-2-(2-hydroxyethyloxy)-1-phenethyl-8-piperazin-1-yl-purin-6-one Openeye Name: 7-but-2-ynyl-2-(2-hydroxyethoxy)-1-phenethyl-8-piperazin-1-yl-purin-6-one CAS Name: 7-but-2-ynyl-2-(2-hydroxyethoxy)-1-phenethyl-8-(1-piperazinyl)-6-purinone IUPAC Name: 7-but-2-ynyl-2-(2-hydroxyethoxy)-1-phenethyl-8-piperazin-1-ylpurin-6-one Traditional Name: 7-but-2-ynyl-2-(2-hydroxyethoxy)-1-phenethyl-8-piperazino-purin-6-one Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6O3/c1-2-3-12-28-19-20(25-22(28)27-14-10-24-11-15-27)26-23(32-17-16-30)29(21(19)31)13-9-18-7-5-4-6-8-18/h4-8,24,30H,9-17H2,1H3