8-bromanyl-9-(cyclohexylmethyl)-2-phenethylsulfanyl-purin-6-amine

Systemtic Name: 8-bromanyl-9-(cyclohexylmethyl)-2-phenethylsulfanyl-purin-6-amine Openeye Name: 8-bromo-9-(cyclohexylmethyl)-2-phenethylsulfanyl-purin-6-amine CAS Name: 8-bromo-9-(cyclohexylmethyl)-2-(phenethylthio)-6-purinamine IUPAC Name: 8-bromo-9-(cyclohexylmethyl)-2-phenethylsulfanylpurin-6-amine Traditional Name: [8-bromo-9-(cyclohexylmethyl)-2-(phenethylthio)purin-6-yl]amine Formula: C20H24BrN5S MolecularWeight: 446.40706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C3=C(C(=NC(=N3)SCCC4=CC=CC=C4)N)N=C2Br

Isomeric SMILES

C1CCC(CC1)CN2C3=C(C(=NC(=N3)SCCC4=CC=CC=C4)N)N=C2Br

InChI

InChI=1S/C20H24BrN5S/c21-19-23-16-17(22)24-20(27-12-11-14-7-3-1-4-8-14)25-18(16)26(19)13-15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-13H2,(H2,22,24,25)