9-[2-(4-bromophenyl)ethyl]-7-but-2-ynyl-2-chloranyl-6-piperazin-1-yl-purin-8-one

Systemtic Name: 9-[2-(4-bromophenyl)ethyl]-7-but-2-ynyl-2-chloranyl-6-piperazin-1-yl-purin-8-one Openeye Name: 9-[2-(4-bromophenyl)ethyl]-7-but-2-ynyl-2-chloro-6-piperazin-1-yl-purin-8-one CAS Name: 9-[2-(4-bromophenyl)ethyl]-7-but-2-ynyl-2-chloro-6-(1-piperazinyl)-8-purinone IUPAC Name: 9-[2-(4-bromophenyl)ethyl]-7-but-2-ynyl-2-chloro-6-piperazin-1-ylpurin-8-one Traditional Name: 9-[2-(4-bromophenyl)ethyl]-7-but-2-ynyl-2-chloro-6-piperazino-purin-8-one Formula: C21H22BrClN6O MolecularWeight: 489.79598

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)Cl)N(C1=O)CCC4=CC=C(C=C4)Br

Isomeric SMILES

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)Cl)N(C1=O)CCC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H22BrClN6O/c1-2-3-11-28-17-18(27-13-9-24-10-14-27)25-20(23)26-19(17)29(21(28)30)12-8-15-4-6-16(22)7-5-15/h4-7,24H,8-14H2,1H3