4-[[9-ethyl-6-[[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]amino]purin-2-yl]amino]cyclohexan-1-ol

Systemtic Name: 4-[[9-ethyl-6-[[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]amino]purin-2-yl]amino]cyclohexan-1-ol Openeye Name: 4-[[9-ethyl-6-[4-(4-phenylpiperazin-1-yl)sulfonylanilino]purin-2-yl]amino]cyclohexanol CAS Name: 4-[[9-ethyl-6-[4-[(4-phenyl-1-piperazinyl)sulfonyl]anilino]-2-purinyl]amino]-1-cyclohexanol IUPAC Name: 4-[[9-ethyl-6-[4-(4-phenylpiperazin-1-yl)sulfonylanilino]purin-2-yl]amino]cyclohexan-1-ol Traditional Name: 4-[[9-ethyl-6-[4-(4-phenylpiperazino)sulfonylanilino]purin-2-yl]amino]cyclohexanol Formula: C29H36N8O3S MolecularWeight: 576.71294

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C29H36N8O3S/c1-2-35-20-30-26-27(33-29(34-28(26)35)32-22-8-12-24(38)13-9-22)31-21-10-14-25(15-11-21)41(39,40)37-18-16-36(17-19-37)23-6-4-3-5-7-23/h3-7,10-11,14-15,20,22,24,38H,2,8-9,12-13,16-19H2,1H3,(H2,31,32,33,34)