N-[4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]methanesulfonamide

Systemtic Name: N-[4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]methanesulfonamide Openeye Name: N-[4-[[9-isopropyl-6-[(4-phenylphenyl)methylamino]purin-2-yl]amino]cyclohexyl]methanesulfonamide CAS Name: N-[4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-2-purinyl]amino]cyclohexyl]methanesulfonamide IUPAC Name: N-[4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]methanesulfonamide Traditional Name: N-[4-[[9-isopropyl-6-[(4-phenylbenzyl)amino]purin-2-yl]amino]cyclohexyl]methanesulfonamide Formula: C28H35N7O2S MolecularWeight: 533.6882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=C4)NC5CCC(CC5)NS(=O)(=O)C

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=C4)NC5CCC(CC5)NS(=O)(=O)C

InChI

InChI=1S/C28H35N7O2S/c1-19(2)35-18-30-25-26(29-17-20-9-11-22(12-10-20)21-7-5-4-6-8-21)32-28(33-27(25)35)31-23-13-15-24(16-14-23)34-38(3,36)37/h4-12,18-19,23-24,34H,13-17H2,1-3H3,(H2,29,31,32,33)