2-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N,4-diphenyl-butane-2-sulfonamide

Systemtic Name: 2-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N,4-diphenyl-butane-2-sulfonamide Openeye Name: 2-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N,4-diphenyl-butane-2-sulfonamide CAS Name: 2-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-N,4-diphenyl-2-butanesulfonamide IUPAC Name: 2-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N,4-diphenylbutane-2-sulfonamide Traditional Name: 2-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N,4-diphenyl-butane-2-sulfonamide Formula: C29H37N7O3S MolecularWeight: 563.71418

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC(C)(CCC3=CC=CC=C3)S(=O)(=O)NC4=CC=CC=C4)NC5CCC(CC5)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC(C)(CCC3=CC=CC=C3)S(=O)(=O)NC4=CC=CC=C4)NC5CCC(CC5)O

InChI

InChI=1S/C29H37N7O3S/c1-3-36-20-30-25-26(32-28(33-27(25)36)31-22-14-16-24(37)17-15-22)34-29(2,19-18-21-10-6-4-7-11-21)40(38,39)35-23-12-8-5-9-13-23/h4-13,20,22,24,35,37H,3,14-19H2,1-2H3,(H2,31,32,33,34)