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

Systemtic Name: 2-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)-2-(methylamino)ethanenitrile Openeye Name: 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-yl-purin-2-yl)-2-(methylamino)acetonitrile CAS Name: 2-[7-but-2-ynyl-1-methyl-6-oxo-8-(1-piperazinyl)-2-purinyl]-2-(methylamino)acetonitrile IUPAC Name: 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)-2-(methylamino)acetonitrile Traditional Name: 2-(7-but-2-ynyl-6-keto-1-methyl-8-piperazino-purin-2-yl)-2-(methylamino)acetonitrile Formula: C17H22N8O MolecularWeight: 354.40958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N8O/c1-4-5-8-25-13-14(22-17(25)24-9-6-20-7-10-24)21-15(12(11-18)19-2)23(3)16(13)26/h12,19-20H,6-10H2,1-3H3