1,7-bis(but-2-ynyl)-6-oxidanylidene-8-piperazin-1-yl-purine-2-carbonitrile hydrochloride

Systemtic Name: 1,7-bis(but-2-ynyl)-6-oxidanylidene-8-piperazin-1-yl-purine-2-carbonitrile hydrochloride Openeye Name: 1,7-bis(but-2-ynyl)-6-oxo-8-piperazin-1-yl-purine-2-carbonitrile hydrochloride CAS Name: 1,7-bis(but-2-ynyl)-6-oxo-8-(1-piperazinyl)-2-purinecarbonitrile hydrochloride IUPAC Name: 1,7-bis(but-2-ynyl)-6-oxo-8-piperazin-1-ylpurine-2-carbonitrile hydrochloride Traditional Name: 1,7-bis(but-2-ynyl)-6-keto-8-piperazino-purine-2-carbonitrile hydrochloride Formula: C18H20ClN7O MolecularWeight: 385.8507

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=NC2=C(C1=O)N(C(=N2)N3CCNCC3)CC#CC)C#N.Cl

Isomeric SMILES

CC#CCN1C(=NC2=C(C1=O)N(C(=N2)N3CCNCC3)CC#CC)C#N.Cl

InChI

InChI=1S/C18H19N7O.ClH/c1-3-5-9-24-14(13-19)21-16-15(17(24)26)25(10-6-4-2)18(22-16)23-11-7-20-8-12-23;/h20H,7-12H2,1-2H3;1H