2-(7-but-2-ynyl-3-methyl-6-oxidanylidene-8-piperazin-1-yl-2H-purin-1-yl)-2-oxidanylidene-ethanenitrile

Systemtic Name: 2-(7-but-2-ynyl-3-methyl-6-oxidanylidene-8-piperazin-1-yl-2H-purin-1-yl)-2-oxidanylidene-ethanenitrile Openeye Name: 7-but-2-ynyl-3-methyl-6-oxo-8-piperazin-1-yl-2H-purine-1-carbonyl cyanide CAS Name: 2-[7-but-2-ynyl-3-methyl-6-oxo-8-(1-piperazinyl)-2H-purin-1-yl]-2-oxoacetonitrile IUPAC Name: 7-but-2-ynyl-3-methyl-6-oxo-8-piperazin-1-yl-2H-purine-1-carbonyl cyanide Traditional Name: 2-(7-but-2-ynyl-6-keto-3-methyl-8-piperazino-2H-purin-1-yl)-2-keto-acetonitrile Formula: C16H19N7O2 MolecularWeight: 341.36776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N7O2/c1-3-4-7-22-13-14(19-16(22)21-8-5-18-6-9-21)20(2)11-23(15(13)25)12(24)10-17/h18H,5-9,11H2,1-2H3