5-methyl-2-(phenylmethylsulfanyl)-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: 5-methyl-2-(phenylmethylsulfanyl)-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine Openeye Name: 2-benzylsulfanyl-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine CAS Name: 5-methyl-2-(phenylmethylthio)-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine IUPAC Name: 2-benzylsulfanyl-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine Traditional Name: [2-(benzylthio)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-propyl-amine Formula: C16H19N5S MolecularWeight: 313.42056

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CC(=NC2=NC(=NN12)SCC3=CC=CC=C3)C

Isomeric SMILES

CCCNC1=CC(=NC2=NC(=NN12)SCC3=CC=CC=C3)C

InChI

InChI=1S/C16H19N5S/c1-3-9-17-14-10-12(2)18-15-19-16(20-21(14)15)22-11-13-7-5-4-6-8-13/h4-8,10,17H,3,9,11H2,1-2H3