9-cyclohexyl-6-(phenylmethylsulfanyl)purin-2-amine

Systemtic Name: 9-cyclohexyl-6-(phenylmethylsulfanyl)purin-2-amine Openeye Name: 6-benzylsulfanyl-9-cyclohexyl-purin-2-amine CAS Name: 9-cyclohexyl-6-(phenylmethylthio)-2-purinamine IUPAC Name: 6-benzylsulfanyl-9-cyclohexylpurin-2-amine Traditional Name: [6-(benzylthio)-9-cyclohexyl-purin-2-yl]amine Formula: C18H21N5S MolecularWeight: 339.45784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C=NC3=C2N=C(N=C3SCC4=CC=CC=C4)N

Isomeric SMILES

C1CCC(CC1)N2C=NC3=C2N=C(N=C3SCC4=CC=CC=C4)N

InChI

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