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

Systemtic Name: 7-but-2-ynyl-2-methoxy-1-phenethyl-8-piperazin-1-yl-purin-6-one hydrochloride Openeye Name: 7-but-2-ynyl-2-methoxy-1-phenethyl-8-piperazin-1-yl-purin-6-one hydrochloride CAS Name: 7-but-2-ynyl-2-methoxy-1-phenethyl-8-(1-piperazinyl)-6-purinone hydrochloride IUPAC Name: 7-but-2-ynyl-2-methoxy-1-phenethyl-8-piperazin-1-ylpurin-6-one hydrochloride Traditional Name: 7-but-2-ynyl-2-methoxy-1-phenethyl-8-piperazino-purin-6-one hydrochloride Formula: C22H27ClN6O2 MolecularWeight: 442.94178

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)CCC4=CC=CC=C4)OC.Cl

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)CCC4=CC=CC=C4)OC.Cl

InChI

InChI=1S/C22H26N6O2.ClH/c1-3-4-13-27-18-19(24-21(27)26-15-11-23-12-16-26)25-22(30-2)28(20(18)29)14-10-17-8-6-5-7-9-17;/h5-9,23H,10-16H2,1-2H3;1H