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

Systemtic Name: N'-[2-cyano-9-(4-methylpiperazin-1-yl)carbonyl-purin-6-yl]-N'-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide Openeye Name: N'-[2-cyano-9-(4-methylpiperazine-1-carbonyl)purin-6-yl]-N'-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide CAS Name: N'-[2-cyano-9-[(4-methyl-1-piperazinyl)-oxomethyl]-6-purinyl]-N'-cyclopentyl-4-[(4-methyl-1-piperazinyl)methyl]benzohydrazide IUPAC Name: N'-[2-cyano-9-(4-methylpiperazine-1-carbonyl)purin-6-yl]-N'-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide Traditional Name: N'-[2-cyano-9-(4-methylpiperazine-1-carbonyl)purin-6-yl]-N'-cyclopentyl-4-[(4-methylpiperazino)methyl]benzohydrazide Formula: C30H39N11O2 MolecularWeight: 585.70316

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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=CN5C(=O)N6CCN(CC6)C)C#N

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)NN(C3CCCC3)C4=NC(=NC5=C4N=CN5C(=O)N6CCN(CC6)C)C#N

InChI

InChI=1S/C30H39N11O2/c1-36-11-15-38(16-12-36)20-22-7-9-23(10-8-22)29(42)35-41(24-5-3-4-6-24)28-26-27(33-25(19-31)34-28)40(21-32-26)30(43)39-17-13-37(2)14-18-39/h7-10,21,24H,3-6,11-18,20H2,1-2H3,(H,35,42)