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

Systemtic Name: N-cyclopentyl-6-[(4-nitrophenyl)methylsulfanyl]-9-(phenylmethyl)purin-8-amine Openeye Name: 9-benzyl-N-cyclopentyl-6-[(4-nitrophenyl)methylsulfanyl]purin-8-amine CAS Name: N-cyclopentyl-6-[(4-nitrophenyl)methylthio]-9-(phenylmethyl)-8-purinamine IUPAC Name: 9-benzyl-N-cyclopentyl-6-[(4-nitrophenyl)methylsulfanyl]purin-8-amine Traditional Name: [9-benzyl-6-[(4-nitrobenzyl)thio]purin-8-yl]-cyclopentyl-amine Formula: C24H24N6O2S MolecularWeight: 460.55136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC3=C(N2CC4=CC=CC=C4)N=CN=C3SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)NC2=NC3=C(N2CC4=CC=CC=C4)N=CN=C3SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H24N6O2S/c31-30(32)20-12-10-18(11-13-20)15-33-23-21-22(25-16-26-23)29(14-17-6-2-1-3-7-17)24(28-21)27-19-8-4-5-9-19/h1-3,6-7,10-13,16,19H,4-5,8-9,14-15H2,(H,27,28)