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

Systemtic Name: N'-[2-cyano-9-(2-dimethylaminoethyl)purin-6-yl]-N'-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide Openeye Name: N'-[2-cyano-9-(2-dimethylaminoethyl)purin-6-yl]-N'-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide CAS Name: N'-[2-cyano-9-(2-dimethylaminoethyl)-6-purinyl]-N'-cyclopentyl-4-[(4-methyl-1-piperazinyl)methyl]benzohydrazide IUPAC Name: N'-[2-cyano-9-(2-dimethylaminoethyl)purin-6-yl]-N'-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide Traditional Name: N'-[2-cyano-9-(2-dimethylaminoethyl)purin-6-yl]-N'-cyclopentyl-4-[(4-methylpiperazino)methyl]benzohydrazide Formula: C28H38N10O MolecularWeight: 530.66772

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)NN(C3CCCC3)C4=NC(=NC5=C4N=CN5CCN(C)C)C#N

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)NN(C3CCCC3)C4=NC(=NC5=C4N=CN5CCN(C)C)C#N

InChI

InChI=1S/C28H38N10O/c1-34(2)12-17-37-20-30-25-26(37)31-24(18-29)32-27(25)38(23-6-4-5-7-23)33-28(39)22-10-8-21(9-11-22)19-36-15-13-35(3)14-16-36/h8-11,20,23H,4-7,12-17,19H2,1-3H3,(H,33,39)