cyclohexane-1,4-diamine; 2-ethyl-9-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]purin-6-amine

Systemtic Name: cyclohexane-1,4-diamine; 2-ethyl-9-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]purin-6-amine Openeye Name: cyclohexane-1,4-diamine; 2-ethyl-9-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]purin-6-amine CAS Name: cyclohexane-1,4-diamine; 2-ethyl-9-[4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]-6-purinamine IUPAC Name: cyclohexane-1,4-diamine; 2-ethyl-9-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]purin-6-amine Traditional Name: (4-aminocyclohexyl)amine; [2-ethyl-9-[4-(4-phenylpiperazino)sulfonylphenyl]purin-6-yl]amine Formula: C29H39N9O2S MolecularWeight: 577.74406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)N)N=CN2C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5.C1CC(CCC1N)N

Isomeric SMILES

CCC1=NC2=C(C(=N1)N)N=CN2C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5.C1CC(CCC1N)N

InChI

InChI=1S/C23H25N7O2S.C6H14N2/c1-2-20-26-22(24)21-23(27-20)30(16-25-21)18-8-10-19(11-9-18)33(31,32)29-14-12-28(13-15-29)17-6-4-3-5-7-17;7-5-1-2-6(8)4-3-5/h3-11,16H,2,12-15H2,1H3,(H2,24,26,27);5-6H,1-4,7-8H2