2-(phenylmethylsulfanyl)-5H-purin-6-amine

Systemtic Name: 2-(phenylmethylsulfanyl)-5H-purin-6-amine Openeye Name: 2-benzylsulfanyl-5H-purin-6-amine CAS Name: 2-(phenylmethylthio)-5H-purin-6-amine IUPAC Name: 2-benzylsulfanyl-5H-purin-6-amine Traditional Name: [2-(benzylthio)-5H-purin-6-yl]amine Formula: C12H11N5S MolecularWeight: 257.31424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=NC=NC3C(=N2)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=NC=NC3C(=N2)N

InChI

InChI=1S/C12H11N5S/c13-10-9-11(15-7-14-9)17-12(16-10)18-6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H2,13,14,15,16,17)