2-(phenylmethylsulfanyl)-7H-purin-6-amine

Systemtic Name: 2-(phenylmethylsulfanyl)-7H-purin-6-amine Openeye Name: 2-benzylsulfanyl-7H-purin-6-amine CAS Name: 2-(phenylmethylthio)-7H-purin-6-amine IUPAC Name: 2-benzylsulfanyl-7H-purin-6-amine Traditional Name: [2-(benzylthio)-7H-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=C(C(=N2)N)NC=N3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(C(=N2)N)NC=N3

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/h1-5,7H,6H2,(H3,13,14,15,16,17)