6-phenethylsulfanyl-7H-purin-2-amine

Systemtic Name: 6-phenethylsulfanyl-7H-purin-2-amine Openeye Name: 6-phenethylsulfanyl-7H-purin-2-amine CAS Name: 6-(phenethylthio)-7H-purin-2-amine IUPAC Name: 6-phenethylsulfanyl-7H-purin-2-amine Traditional Name: [6-(phenethylthio)-7H-purin-2-yl]amine Formula: C13H13N5S MolecularWeight: 271.34082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC(=NC3=C2NC=N3)N

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC(=NC3=C2NC=N3)N

InChI

InChI=1S/C13H13N5S/c14-13-17-11-10(15-8-16-11)12(18-13)19-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,14,15,16,17,18)