7-but-2-ynyl-1-methyl-8-[3-(methylamino)piperidin-1-yl]-6-oxidanylidene-purine-2-carbonitrile

Systemtic Name: 7-but-2-ynyl-1-methyl-8-[3-(methylamino)piperidin-1-yl]-6-oxidanylidene-purine-2-carbonitrile Openeye Name: 7-but-2-ynyl-1-methyl-8-[3-(methylamino)-1-piperidyl]-6-oxo-purine-2-carbonitrile CAS Name: 7-but-2-ynyl-1-methyl-8-[3-(methylamino)-1-piperidinyl]-6-oxo-2-purinecarbonitrile IUPAC Name: 7-but-2-ynyl-1-methyl-8-[3-(methylamino)piperidin-1-yl]-6-oxopurine-2-carbonitrile Traditional Name: 7-but-2-ynyl-6-keto-1-methyl-8-[3-(methylamino)piperidino]purine-2-carbonitrile Formula: C17H21N7O MolecularWeight: 339.39494

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N(C2=O)C)C#N)N=C1N3CCCC(C3)NC

Isomeric SMILES

CC#CCN1C2=C(N=C(N(C2=O)C)C#N)N=C1N3CCCC(C3)NC

InChI

InChI=1S/C17H21N7O/c1-4-5-9-24-14-15(20-13(10-18)22(3)16(14)25)21-17(24)23-8-6-7-12(11-23)19-2/h12,19H,6-9,11H2,1-3H3