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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=NC3=NC=NC32)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=NC3=NC=NC32)N

InChI

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