2-cyclohexyl-9-[3-(4-phenylpiperazin-1-yl)propyl]purin-6-amine

Systemtic Name: 2-cyclohexyl-9-[3-(4-phenylpiperazin-1-yl)propyl]purin-6-amine Openeye Name: 2-cyclohexyl-9-[3-(4-phenylpiperazin-1-yl)propyl]purin-6-amine CAS Name: 2-cyclohexyl-9-[3-(4-phenyl-1-piperazinyl)propyl]-6-purinamine IUPAC Name: 2-cyclohexyl-9-[3-(4-phenylpiperazin-1-yl)propyl]purin-6-amine Traditional Name: [2-cyclohexyl-9-[3-(4-phenylpiperazino)propyl]purin-6-yl]amine Formula: C24H33N7 MolecularWeight: 419.56572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC3=C(C(=N2)N)N=CN3CCCN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=NC3=C(C(=N2)N)N=CN3CCCN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C24H33N7/c25-22-21-24(28-23(27-22)19-8-3-1-4-9-19)31(18-26-21)13-7-12-29-14-16-30(17-15-29)20-10-5-2-6-11-20/h2,5-6,10-11,18-19H,1,3-4,7-9,12-17H2,(H2,25,27,28)