7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purine-2-carbonitrile

Systemtic Name: 7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purine-2-carbonitrile Openeye Name: 7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-yl-purine-2-carbonitrile CAS Name: 7-but-2-ynyl-1-methyl-6-oxo-8-(1-piperazinyl)-2-purinecarbonitrile IUPAC Name: 7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurine-2-carbonitrile Traditional Name: 7-but-2-ynyl-6-keto-1-methyl-8-piperazino-purine-2-carbonitrile Formula: C15H17N7O MolecularWeight: 311.34178

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N(C2=O)C)C#N)N=C1N3CCNCC3

Isomeric SMILES

CC#CCN1C2=C(N=C(N(C2=O)C)C#N)N=C1N3CCNCC3

InChI

InChI=1S/C15H17N7O/c1-3-4-7-22-12-13(18-11(10-16)20(2)14(12)23)19-15(22)21-8-5-17-6-9-21/h17H,5-9H2,1-2H3