2-cyclohexylsulfanyl-9-(phenylmethyl)purin-6-amine

Systemtic Name: 2-cyclohexylsulfanyl-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-2-cyclohexylsulfanyl-purin-6-amine CAS Name: 2-(cyclohexylthio)-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-2-cyclohexylsulfanylpurin-6-amine Traditional Name: [9-benzyl-2-(cyclohexylthio)purin-6-yl]amine Formula: C18H21N5S MolecularWeight: 339.45784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=NC3=C(C(=N2)N)N=CN3CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)SC2=NC3=C(C(=N2)N)N=CN3CC4=CC=CC=C4

InChI

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