8-(phenylmethylsulfanyl)-7H-purine-2,6-diamine

Systemtic Name: 8-(phenylmethylsulfanyl)-7H-purine-2,6-diamine Openeye Name: 8-benzylsulfanyl-7H-purine-2,6-diamine CAS Name: 8-(phenylmethylthio)-7H-purine-2,6-diamine IUPAC Name: 8-benzylsulfanyl-7H-purine-2,6-diamine Traditional Name: [2-amino-8-(benzylthio)-7H-purin-6-yl]amine Formula: C12H12N6S MolecularWeight: 272.32888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N6S/c13-9-8-10(17-11(14)16-9)18-12(15-8)19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H5,13,14,15,16,17,18)