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

Systemtic Name: 9-ethyl-2-[(4-oxidanylcyclohexyl)amino]-6-[[4-(1-oxidanylpropyl)phenyl]-sulfamoyl-amino]purine Openeye Name: 9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-[4-(1-hydroxypropyl)-N-sulfamoyl-anilino]purine CAS Name: 9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-[4-(1-hydroxypropyl)-N-sulfamoylanilino]purine IUPAC Name: 9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-[4-(1-hydroxypropyl)-N-sulfamoylanilino]purine Traditional Name: 9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-[4-(1-hydroxypropyl)-N-sulfamoyl-anilino]purine Formula: C22H31N7O4S MolecularWeight: 489.59104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N7O4S/c1-3-18(31)14-5-9-16(10-6-14)29(34(23,32)33)21-19-20(28(4-2)13-24-19)26-22(27-21)25-15-7-11-17(30)12-8-15/h5-6,9-10,13,15,17-18,30-31H,3-4,7-8,11-12H2,1-2H3,(H2,23,32,33)(H,25,26,27)