2-[[9-ethyl-6-[[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]amino]purin-2-yl]amino]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[9-ethyl-6-[[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]amino]purin-2-yl]amino]cyclohexane-1-carboxylic acid Openeye Name: 2-[[9-ethyl-6-[4-(4-phenylpiperazin-1-yl)sulfonylanilino]purin-2-yl]amino]cyclohexanecarboxylic acid CAS Name: 2-[[9-ethyl-6-[4-[(4-phenyl-1-piperazinyl)sulfonyl]anilino]-2-purinyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[9-ethyl-6-[4-(4-phenylpiperazin-1-yl)sulfonylanilino]purin-2-yl]amino]cyclohexane-1-carboxylic acid Traditional Name: 2-[[9-ethyl-6-[4-(4-phenylpiperazino)sulfonylanilino]purin-2-yl]amino]cyclohexanecarboxylic acid Formula: C30H36N8O4S MolecularWeight: 604.72304

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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)NC6CCCCC6C(=O)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5)NC6CCCCC6C(=O)O

InChI

InChI=1S/C30H36N8O4S/c1-2-36-20-31-26-27(34-30(35-28(26)36)33-25-11-7-6-10-24(25)29(39)40)32-21-12-14-23(15-13-21)43(41,42)38-18-16-37(17-19-38)22-8-4-3-5-9-22/h3-5,8-9,12-15,20,24-25H,2,6-7,10-11,16-19H2,1H3,(H,39,40)(H2,32,33,34,35)