2-[[7-but-2-ynyl-2-(dimethylamino)-6-oxidanylidene-8-piperazin-1-yl-purin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[7-but-2-ynyl-2-(dimethylamino)-6-oxidanylidene-8-piperazin-1-yl-purin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[7-but-2-ynyl-2-(dimethylamino)-6-oxo-8-piperazin-1-yl-purin-1-yl]methyl]benzonitrile CAS Name: 2-[[7-but-2-ynyl-2-(dimethylamino)-6-oxo-8-(1-piperazinyl)-1-purinyl]methyl]benzonitrile IUPAC Name: 2-[[7-but-2-ynyl-2-(dimethylamino)-6-oxo-8-piperazin-1-ylpurin-1-yl]methyl]benzonitrile Traditional Name: 2-[[7-but-2-ynyl-2-(dimethylamino)-6-keto-8-piperazino-purin-1-yl]methyl]benzonitrile Formula: C23H26N8O MolecularWeight: 430.50554

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)CC4=CC=CC=C4C#N)N(C)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)CC4=CC=CC=C4C#N)N(C)C

InChI

InChI=1S/C23H26N8O/c1-4-5-12-30-19-20(27-23(30)29-13-10-25-11-14-29)26-22(28(2)3)31(21(19)32)16-18-9-7-6-8-17(18)15-24/h6-9,25H,10-14,16H2,1-3H3