7-methylsulfanyl-3-(phenylmethyl)-[1,2,3]triazolo[4,5-d]pyrimidine

Systemtic Name: 7-methylsulfanyl-3-(phenylmethyl)-[1,2,3]triazolo[4,5-d]pyrimidine Openeye Name: 3-benzyl-7-methylsulfanyl-triazolo[4,5-d]pyrimidine CAS Name: 7-(methylthio)-3-(phenylmethyl)triazolo[4,5-d]pyrimidine IUPAC Name: 3-benzyl-7-methylsulfanyltriazolo[4,5-d]pyrimidine Traditional Name: 3-benzyl-7-(methylthio)triazolo[4,5-d]pyrimidine Formula: C12H11N5S MolecularWeight: 257.31424

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=NC2=C1N=NN2CC3=CC=CC=C3

Isomeric SMILES

CSC1=NC=NC2=C1N=NN2CC3=CC=CC=C3

InChI

InChI=1S/C12H11N5S/c1-18-12-10-11(13-8-14-12)17(16-15-10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3