2-[9-(phenylmethyl)purin-8-yl]sulfanylcyclohexan-1-amine

Systemtic Name: 2-[9-(phenylmethyl)purin-8-yl]sulfanylcyclohexan-1-amine Openeye Name: 2-(9-benzylpurin-8-yl)sulfanylcyclohexanamine CAS Name: 2-[[9-(phenylmethyl)-8-purinyl]thio]-1-cyclohexanamine IUPAC Name: 2-(9-benzylpurin-8-yl)sulfanylcyclohexan-1-amine Traditional Name: [2-[(9-benzylpurin-8-yl)thio]cyclohexyl]amine Formula: C18H21N5S MolecularWeight: 339.45784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)SC2=NC3=CN=CN=C3N2CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C(C1)N)SC2=NC3=CN=CN=C3N2CC4=CC=CC=C4

InChI

InChI=1S/C18H21N5S/c19-14-8-4-5-9-16(14)24-18-22-15-10-20-12-21-17(15)23(18)11-13-6-2-1-3-7-13/h1-3,6-7,10,12,14,16H,4-5,8-9,11,19H2