N-cyclohexyl-6-[(4-nitrophenyl)methylsulfanyl]-9-(phenylmethyl)purin-8-amine

Systemtic Name: N-cyclohexyl-6-[(4-nitrophenyl)methylsulfanyl]-9-(phenylmethyl)purin-8-amine Openeye Name: 9-benzyl-N-cyclohexyl-6-[(4-nitrophenyl)methylsulfanyl]purin-8-amine CAS Name: N-cyclohexyl-6-[(4-nitrophenyl)methylthio]-9-(phenylmethyl)-8-purinamine IUPAC Name: 9-benzyl-N-cyclohexyl-6-[(4-nitrophenyl)methylsulfanyl]purin-8-amine Traditional Name: [9-benzyl-6-[(4-nitrobenzyl)thio]purin-8-yl]-cyclohexyl-amine Formula: C25H26N6O2S MolecularWeight: 474.57794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC3=C(N2CC4=CC=CC=C4)N=CN=C3SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC2=NC3=C(N2CC4=CC=CC=C4)N=CN=C3SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H26N6O2S/c32-31(33)21-13-11-19(12-14-21)16-34-24-22-23(26-17-27-24)30(15-18-7-3-1-4-8-18)25(29-22)28-20-9-5-2-6-10-20/h1,3-4,7-8,11-14,17,20H,2,5-6,9-10,15-16H2,(H,28,29)