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

Systemtic Name: 8-bromanyl-2-(2-methylpropylsulfanyl)-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-8-bromo-2-isobutylsulfanyl-purin-6-amine CAS Name: 8-bromo-2-(2-methylpropylthio)-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-8-bromo-2-(2-methylpropylsulfanyl)purin-6-amine Traditional Name: [9-benzyl-8-bromo-2-(isobutylthio)purin-6-yl]amine Formula: C16H18BrN5S MolecularWeight: 392.31662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)CSC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

InChI

InChI=1S/C16H18BrN5S/c1-10(2)9-23-16-20-13(18)12-14(21-16)22(15(17)19-12)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,18,20,21)