N2-cyclohexyl-9-ethyl-N6-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]purine-2,6-diamine

Systemtic Name: N2-cyclohexyl-9-ethyl-N6-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]purine-2,6-diamine Openeye Name: N2-cyclohexyl-9-ethyl-N6-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]purine-2,6-diamine CAS Name: N2-cyclohexyl-9-ethyl-N6-[4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]purine-2,6-diamine IUPAC Name: 2-N-cyclohexyl-9-ethyl-6-N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]purine-2,6-diamine Traditional Name: cyclohexyl-[9-ethyl-6-[4-(4-phenylpiperazino)sulfonylanilino]purin-2-yl]amine Formula: C29H36N8O2S MolecularWeight: 560.71354

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5)NC6CCCCC6

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5)NC6CCCCC6

InChI

InChI=1S/C29H36N8O2S/c1-2-35-21-30-26-27(33-29(34-28(26)35)32-22-9-5-3-6-10-22)31-23-13-15-25(16-14-23)40(38,39)37-19-17-36(18-20-37)24-11-7-4-8-12-24/h4,7-8,11-16,21-22H,2-3,5-6,9-10,17-20H2,1H3,(H2,31,32,33,34)