N'-(2-cyano-9-methyl-purin-6-yl)-N'-cyclohexyl-3-(4-methylpiperazin-1-yl)benzohydrazide

Systemtic Name: N'-(2-cyano-9-methyl-purin-6-yl)-N'-cyclohexyl-3-(4-methylpiperazin-1-yl)benzohydrazide Openeye Name: N'-(2-cyano-9-methyl-purin-6-yl)-N'-cyclohexyl-3-(4-methylpiperazin-1-yl)benzohydrazide CAS Name: N'-(2-cyano-9-methyl-6-purinyl)-N'-cyclohexyl-3-(4-methyl-1-piperazinyl)benzohydrazide IUPAC Name: N'-(2-cyano-9-methylpurin-6-yl)-N'-cyclohexyl-3-(4-methylpiperazin-1-yl)benzohydrazide Traditional Name: N'-(2-cyano-9-methyl-purin-6-yl)-N'-cyclohexyl-3-(4-methylpiperazino)benzohydrazide Formula: C25H31N9O MolecularWeight: 473.57334

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC(=C2)C(=O)NN(C3CCCCC3)C4=NC(=NC5=C4N=CN5C)C#N

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC(=C2)C(=O)NN(C3CCCCC3)C4=NC(=NC5=C4N=CN5C)C#N

InChI

InChI=1S/C25H31N9O/c1-31-11-13-33(14-12-31)20-10-6-7-18(15-20)25(35)30-34(19-8-4-3-5-9-19)24-22-23(32(2)17-27-22)28-21(16-26)29-24/h6-7,10,15,17,19H,3-5,8-9,11-14H2,1-2H3,(H,30,35)