9-ethyl-2-[(4-oxidanylcyclohexyl)amino]-6-[[4-(3-phenoxyphenyl)phenyl]-sulfamoyl-amino]purine

Systemtic Name: 9-ethyl-2-[(4-oxidanylcyclohexyl)amino]-6-[[4-(3-phenoxyphenyl)phenyl]-sulfamoyl-amino]purine Openeye Name: 9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-[4-(3-phenoxyphenyl)-N-sulfamoyl-anilino]purine CAS Name: 9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-[4-(3-phenoxyphenyl)-N-sulfamoylanilino]purine IUPAC Name: 9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-[4-(3-phenoxyphenyl)-N-sulfamoylanilino]purine Traditional Name: 9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-[4-(3-phenoxyphenyl)-N-sulfamoyl-anilino]purine Formula: C31H33N7O4S MolecularWeight: 599.70322

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2N(C3=CC=C(C=C3)C4=CC(=CC=C4)OC5=CC=CC=C5)S(=O)(=O)N)NC6CCC(CC6)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2N(C3=CC=C(C=C3)C4=CC(=CC=C4)OC5=CC=CC=C5)S(=O)(=O)N)NC6CCC(CC6)O

InChI

InChI=1S/C31H33N7O4S/c1-2-37-20-33-28-29(37)35-31(34-23-13-17-25(39)18-14-23)36-30(28)38(43(32,40)41)24-15-11-21(12-16-24)22-7-6-10-27(19-22)42-26-8-4-3-5-9-26/h3-12,15-16,19-20,23,25,39H,2,13-14,17-18H2,1H3,(H2,32,40,41)(H,34,35,36)