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

Systemtic Name: 8-bromanyl-2-cyclohexylsulfanyl-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-8-bromo-2-cyclohexylsulfanyl-purin-6-amine CAS Name: 8-bromo-2-(cyclohexylthio)-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-8-bromo-2-cyclohexylsulfanylpurin-6-amine Traditional Name: [9-benzyl-8-bromo-2-(cyclohexylthio)purin-6-yl]amine Formula: C18H20BrN5S MolecularWeight: 418.3539

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=NC3=C(C(=N2)N)N=C(N3CC4=CC=CC=C4)Br

Isomeric SMILES

C1CCC(CC1)SC2=NC3=C(C(=N2)N)N=C(N3CC4=CC=CC=C4)Br

InChI

InChI=1S/C18H20BrN5S/c19-17-21-14-15(20)22-18(25-13-9-5-2-6-10-13)23-16(14)24(17)11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H2,20,22,23)