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

Systemtic Name: N'-[2-cyano-9-[3-(dimethylamino)propyl]purin-6-yl]-N-cyclopentyl-3-ethyl-4-(4-methylpiperazin-1-yl)benzohydrazide Openeye Name: N'-[2-cyano-9-[3-(dimethylamino)propyl]purin-6-yl]-N-cyclopentyl-3-ethyl-4-(4-methylpiperazin-1-yl)benzohydrazide CAS Name: N'-[2-cyano-9-[3-(dimethylamino)propyl]-6-purinyl]-N-cyclopentyl-3-ethyl-4-(4-methyl-1-piperazinyl)benzohydrazide IUPAC Name: N'-[2-cyano-9-[3-(dimethylamino)propyl]purin-6-yl]-N-cyclopentyl-3-ethyl-4-(4-methylpiperazin-1-yl)benzohydrazide Traditional Name: N'-[2-cyano-9-[3-(dimethylamino)propyl]purin-6-yl]-N-cyclopentyl-3-ethyl-4-(4-methylpiperazino)benzohydrazide Formula: C30H42N10O MolecularWeight: 558.72088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(=O)N(C2CCCC2)NC3=NC(=NC4=C3N=CN4CCCN(C)C)C#N)N5CCN(CC5)C

Isomeric SMILES

CCC1=C(C=CC(=C1)C(=O)N(C2CCCC2)NC3=NC(=NC4=C3N=CN4CCCN(C)C)C#N)N5CCN(CC5)C

InChI

InChI=1S/C30H42N10O/c1-5-22-19-23(11-12-25(22)38-17-15-37(4)16-18-38)30(41)40(24-9-6-7-10-24)35-28-27-29(34-26(20-31)33-28)39(21-32-27)14-8-13-36(2)3/h11-12,19,21,24H,5-10,13-18H2,1-4H3,(H,33,34,35)