3-heptylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine

Systemtic Name: 3-heptylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine Openeye Name: 3-heptylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine CAS Name: 3-(heptylthio)-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine IUPAC Name: 3-heptylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine Traditional Name: 3-(heptylthio)-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine Formula: C14H22N4S MolecularWeight: 278.41628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NN=C2N1C(=CC(=N2)C)C

Isomeric SMILES

CCCCCCCSC1=NN=C2N1C(=CC(=N2)C)C

InChI

InChI=1S/C14H22N4S/c1-4-5-6-7-8-9-19-14-17-16-13-15-11(2)10-12(3)18(13)14/h10H,4-9H2,1-3H3