2-(7-but-2-ynyl-2-chloranyl-8-oxidanylidene-6-piperazin-1-yl-purin-9-yl)butanenitrile

Systemtic Name: 2-(7-but-2-ynyl-2-chloranyl-8-oxidanylidene-6-piperazin-1-yl-purin-9-yl)butanenitrile Openeye Name: 2-(7-but-2-ynyl-2-chloro-8-oxo-6-piperazin-1-yl-purin-9-yl)butanenitrile CAS Name: 2-[7-but-2-ynyl-2-chloro-8-oxo-6-(1-piperazinyl)-9-purinyl]butanenitrile IUPAC Name: 2-(7-but-2-ynyl-2-chloro-8-oxo-6-piperazin-1-ylpurin-9-yl)butanenitrile Traditional Name: 2-(7-but-2-ynyl-2-chloro-8-keto-6-piperazino-purin-9-yl)butyronitrile Formula: C17H20ClN7O MolecularWeight: 373.84

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)N1C2=C(C(=NC(=N2)Cl)N3CCNCC3)N(C1=O)CC#CC

Isomeric SMILES

CCC(C#N)N1C2=C(C(=NC(=N2)Cl)N3CCNCC3)N(C1=O)CC#CC

InChI

InChI=1S/C17H20ClN7O/c1-3-5-8-24-13-14(23-9-6-20-7-10-23)21-16(18)22-15(13)25(17(24)26)12(4-2)11-19/h12,20H,4,6-10H2,1-2H3