9-ethyl-2-[(4-oxidanylcyclohexyl)amino]-6-[[4-(1-phenylbutyl)phenyl]-sulfamoyl-amino]purine

Systemtic Name: 9-ethyl-2-[(4-oxidanylcyclohexyl)amino]-6-[[4-(1-phenylbutyl)phenyl]-sulfamoyl-amino]purine Openeye Name: 9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-[4-(1-phenylbutyl)-N-sulfamoyl-anilino]purine CAS Name: 9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-[4-(1-phenylbutyl)-N-sulfamoylanilino]purine IUPAC Name: 9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-[4-(1-phenylbutyl)-N-sulfamoylanilino]purine Traditional Name: 9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-[4-(1-phenylbutyl)-N-sulfamoyl-anilino]purine Formula: C29H37N7O3S MolecularWeight: 563.71418

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)C2=CC=C(C=C2)N(C3=NC(=NC4=C3N=CN4CC)NC5CCC(CC5)O)S(=O)(=O)N

Isomeric SMILES

CCCC(C1=CC=CC=C1)C2=CC=C(C=C2)N(C3=NC(=NC4=C3N=CN4CC)NC5CCC(CC5)O)S(=O)(=O)N

InChI

InChI=1S/C29H37N7O3S/c1-3-8-25(20-9-6-5-7-10-20)21-11-15-23(16-12-21)36(40(30,38)39)28-26-27(35(4-2)19-31-26)33-29(34-28)32-22-13-17-24(37)18-14-22/h5-7,9-12,15-16,19,22,24-25,37H,3-4,8,13-14,17-18H2,1-2H3,(H2,30,38,39)(H,32,33,34)