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

Systemtic Name: 2-(4-methylphenyl)sulfanyl-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-2-(p-tolylsulfanyl)purin-6-amine CAS Name: 2-[(4-methylphenyl)thio]-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-2-(4-methylphenyl)sulfanylpurin-6-amine Traditional Name: [9-benzyl-2-(p-tolylthio)purin-6-yl]amine Formula: C19H17N5S MolecularWeight: 347.43678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC3=C(C(=N2)N)N=CN3CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC3=C(C(=N2)N)N=CN3CC4=CC=CC=C4

InChI

InChI=1S/C19H17N5S/c1-13-7-9-15(10-8-13)25-19-22-17(20)16-18(23-19)24(12-21-16)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H2,20,22,23)