3-ethyl-7-(phenylmethylsulfanyl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine

Systemtic Name: 3-ethyl-7-(phenylmethylsulfanyl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine Openeye Name: 7-benzylsulfanyl-3-ethyl-triazolo[4,5-d]pyrimidin-5-amine CAS Name: 3-ethyl-7-(phenylmethylthio)-5-triazolo[4,5-d]pyrimidinamine IUPAC Name: 7-benzylsulfanyl-3-ethyltriazolo[4,5-d]pyrimidin-5-amine Traditional Name: [7-(benzylthio)-3-ethyl-triazolo[4,5-d]pyrimidin-5-yl]amine Formula: C13H14N6S MolecularWeight: 286.35546

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=NC(=N2)N)SCC3=CC=CC=C3)N=N1

Isomeric SMILES

CCN1C2=C(C(=NC(=N2)N)SCC3=CC=CC=C3)N=N1

InChI

InChI=1S/C13H14N6S/c1-2-19-11-10(17-18-19)12(16-13(14)15-11)20-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,14,15,16)