8-bromanyl-2-(4-methylphenyl)sulfanyl-9-(phenylmethyl)purin-6-amine

Systemtic Name: 8-bromanyl-2-(4-methylphenyl)sulfanyl-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-8-bromo-2-(p-tolylsulfanyl)purin-6-amine CAS Name: 8-bromo-2-[(4-methylphenyl)thio]-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-8-bromo-2-(4-methylphenyl)sulfanylpurin-6-amine Traditional Name: [9-benzyl-8-bromo-2-(p-tolylthio)purin-6-yl]amine Formula: C19H16BrN5S MolecularWeight: 426.33284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC3=C(C(=N2)N)N=C(N3CC4=CC=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC3=C(C(=N2)N)N=C(N3CC4=CC=CC=C4)Br

InChI

InChI=1S/C19H16BrN5S/c1-12-7-9-14(10-8-12)26-19-23-16(21)15-17(24-19)25(18(20)22-15)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,21,23,24)