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

Systemtic Name: 9-ethyl-6-[[4-(2-methylbutyl)phenyl]-sulfamoyl-amino]-2-[(4-oxidanylcyclohexyl)amino]purine Openeye Name: 9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-[4-(2-methylbutyl)-N-sulfamoyl-anilino]purine CAS Name: 9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-[4-(2-methylbutyl)-N-sulfamoylanilino]purine IUPAC Name: 9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-[4-(2-methylbutyl)-N-sulfamoylanilino]purine Traditional Name: 9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-[4-(2-methylbutyl)-N-sulfamoyl-anilino]purine Formula: C24H35N7O3S MolecularWeight: 501.6448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=CC=C(C=C1)N(C2=NC(=NC3=C2N=CN3CC)NC4CCC(CC4)O)S(=O)(=O)N

Isomeric SMILES

CCC(C)CC1=CC=C(C=C1)N(C2=NC(=NC3=C2N=CN3CC)NC4CCC(CC4)O)S(=O)(=O)N

InChI

InChI=1S/C24H35N7O3S/c1-4-16(3)14-17-6-10-19(11-7-17)31(35(25,33)34)23-21-22(30(5-2)15-26-21)28-24(29-23)27-18-8-12-20(32)13-9-18/h6-7,10-11,15-16,18,20,32H,4-5,8-9,12-14H2,1-3H3,(H2,25,33,34)(H,27,28,29)