N'-[2-cyano-9-(2-dimethylaminoethyl)purin-6-yl]-N'-cyclopentyl-3-(4-methylpiperazin-1-yl)benzohydrazide

Systemtic Name: N'-[2-cyano-9-(2-dimethylaminoethyl)purin-6-yl]-N'-cyclopentyl-3-(4-methylpiperazin-1-yl)benzohydrazide Openeye Name: N'-[2-cyano-9-(2-dimethylaminoethyl)purin-6-yl]-N'-cyclopentyl-3-(4-methylpiperazin-1-yl)benzohydrazide CAS Name: N'-[2-cyano-9-(2-dimethylaminoethyl)-6-purinyl]-N'-cyclopentyl-3-(4-methyl-1-piperazinyl)benzohydrazide IUPAC Name: N'-[2-cyano-9-(2-dimethylaminoethyl)purin-6-yl]-N'-cyclopentyl-3-(4-methylpiperazin-1-yl)benzohydrazide Traditional Name: N'-[2-cyano-9-(2-dimethylaminoethyl)purin-6-yl]-N'-cyclopentyl-3-(4-methylpiperazino)benzohydrazide Formula: C27H36N10O MolecularWeight: 516.64114

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC(=C2)C(=O)NN(C3CCCC3)C4=NC(=NC5=C4N=CN5CCN(C)C)C#N

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC(=C2)C(=O)NN(C3CCCC3)C4=NC(=NC5=C4N=CN5CCN(C)C)C#N

InChI

InChI=1S/C27H36N10O/c1-33(2)11-14-36-19-29-24-25(36)30-23(18-28)31-26(24)37(21-8-4-5-9-21)32-27(38)20-7-6-10-22(17-20)35-15-12-34(3)13-16-35/h6-7,10,17,19,21H,4-5,8-9,11-16H2,1-3H3,(H,32,38)