8-bromanyl-9-(phenylmethyl)-2-propan-2-ylsulfanyl-purin-6-amine

Systemtic Name: 8-bromanyl-9-(phenylmethyl)-2-propan-2-ylsulfanyl-purin-6-amine Openeye Name: 9-benzyl-8-bromo-2-isopropylsulfanyl-purin-6-amine CAS Name: 8-bromo-9-(phenylmethyl)-2-(propan-2-ylthio)-6-purinamine IUPAC Name: 9-benzyl-8-bromo-2-propan-2-ylsulfanylpurin-6-amine Traditional Name: [9-benzyl-8-bromo-2-(isopropylthio)purin-6-yl]amine Formula: C15H16BrN5S MolecularWeight: 378.29004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)SC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

InChI

InChI=1S/C15H16BrN5S/c1-9(2)22-15-19-12(17)11-13(20-15)21(14(16)18-11)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,17,19,20)