7-but-2-ynyl-2-ethoxy-1-phenethyl-8-piperazin-1-yl-purin-6-one hydrochloride

Systemtic Name: 7-but-2-ynyl-2-ethoxy-1-phenethyl-8-piperazin-1-yl-purin-6-one hydrochloride Openeye Name: 7-but-2-ynyl-2-ethoxy-1-phenethyl-8-piperazin-1-yl-purin-6-one hydrochloride CAS Name: 7-but-2-ynyl-2-ethoxy-1-phenethyl-8-(1-piperazinyl)-6-purinone hydrochloride IUPAC Name: 7-but-2-ynyl-2-ethoxy-1-phenethyl-8-piperazin-1-ylpurin-6-one hydrochloride Traditional Name: 7-but-2-ynyl-2-ethoxy-1-phenethyl-8-piperazino-purin-6-one hydrochloride Formula: C23H29ClN6O2 MolecularWeight: 456.96836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)N(C(=N2)N4CCNCC4)CC#CC.Cl

Isomeric SMILES

CCOC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)N(C(=N2)N4CCNCC4)CC#CC.Cl

InChI

InChI=1S/C23H28N6O2.ClH/c1-3-5-14-28-19-20(25-22(28)27-16-12-24-13-17-27)26-23(31-4-2)29(21(19)30)15-11-18-9-7-6-8-10-18;/h6-10,24H,4,11-17H2,1-2H3;1H