N-[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]-N-[4-(2-methoxyphenyl)phenyl]piperazine-1-sulfonamide

Systemtic Name: N-[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]-N-[4-(2-methoxyphenyl)phenyl]piperazine-1-sulfonamide Openeye Name: N-[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]-N-[4-(2-methoxyphenyl)phenyl]piperazine-1-sulfonamide CAS Name: N-[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]-N-[4-(2-methoxyphenyl)phenyl]-1-piperazinesulfonamide IUPAC Name: N-[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]-N-[4-(2-methoxyphenyl)phenyl]piperazine-1-sulfonamide Traditional Name: N-[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]-N-[4-(2-methoxyphenyl)phenyl]piperazine-1-sulfonamide Formula: C30H38N8O4S MolecularWeight: 606.73892

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2N(C3=CC=C(C=C3)C4=CC=CC=C4OC)S(=O)(=O)N5CCNCC5)NC6CCC(CC6)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2N(C3=CC=C(C=C3)C4=CC=CC=C4OC)S(=O)(=O)N5CCNCC5)NC6CCC(CC6)O

InChI

InChI=1S/C30H38N8O4S/c1-3-36-20-32-27-28(36)34-30(33-22-10-14-24(39)15-11-22)35-29(27)38(43(40,41)37-18-16-31-17-19-37)23-12-8-21(9-13-23)25-6-4-5-7-26(25)42-2/h4-9,12-13,20,22,24,31,39H,3,10-11,14-19H2,1-2H3,(H,33,34,35)