6-[(2-chlorophenyl)methylsulfanyl]-9-cyclohexyl-purin-2-amine

Systemtic Name: 6-[(2-chlorophenyl)methylsulfanyl]-9-cyclohexyl-purin-2-amine Openeye Name: 6-[(2-chlorophenyl)methylsulfanyl]-9-cyclohexyl-purin-2-amine CAS Name: 6-[(2-chlorophenyl)methylthio]-9-cyclohexyl-2-purinamine IUPAC Name: 6-[(2-chlorophenyl)methylsulfanyl]-9-cyclohexylpurin-2-amine Traditional Name: [6-[(2-chlorobenzyl)thio]-9-cyclohexyl-purin-2-yl]amine Formula: C18H20ClN5S MolecularWeight: 373.9029

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C=NC3=C2N=C(N=C3SCC4=CC=CC=C4Cl)N

Isomeric SMILES

C1CCC(CC1)N2C=NC3=C2N=C(N=C3SCC4=CC=CC=C4Cl)N

InChI

InChI=1S/C18H20ClN5S/c19-14-9-5-4-6-12(14)10-25-17-15-16(22-18(20)23-17)24(11-21-15)13-7-2-1-3-8-13/h4-6,9,11,13H,1-3,7-8,10H2,(H2,20,22,23)