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

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

Systemtic Name:1,7-bis(but-2-ynyl)-6-oxidanylidene-8-piperazin-1-yl-purine-2-carbonitrile
Openeye Name:1,7-bis(but-2-ynyl)-6-oxo-8-piperazin-1-yl-purine-2-carbonitrile
CAS Name:1,7-bis(but-2-ynyl)-6-oxo-8-(1-piperazinyl)-2-purinecarbonitrile
IUPAC Name:1,7-bis(but-2-ynyl)-6-oxo-8-piperazin-1-ylpurine-2-carbonitrile
Traditional Name:1,7-bis(but-2-ynyl)-6-keto-8-piperazino-purine-2-carbonitrile
Formula: C18H19N7O
MolecularWeight: 349.38976
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H19N7O/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


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