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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-ethyl-N6-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-ethyl-N6-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-ethyl-N6-[4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-ethyl-6-N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-ethyl-6-[4-(4-phenylpiperazino)sulfonylanilino]purin-2-yl]amine Formula: C29H37N9O2S MolecularWeight: 575.72818

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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)NC6CCC(CC6)N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5)NC6CCC(CC6)N

InChI

InChI=1S/C29H37N9O2S/c1-2-36-20-31-26-27(34-29(35-28(26)36)33-23-10-8-21(30)9-11-23)32-22-12-14-25(15-13-22)41(39,40)38-18-16-37(17-19-38)24-6-4-3-5-7-24/h3-7,12-15,20-21,23H,2,8-11,16-19,30H2,1H3,(H2,32,33,34,35)