3-methylsulfanyl-6-(2-prop-2-enoxyphenyl)-5H-pyrimido[4,5-e][1,2,4]triazin-8-one

Systemtic Name: 3-methylsulfanyl-6-(2-prop-2-enoxyphenyl)-5H-pyrimido[4,5-e][1,2,4]triazin-8-one Openeye Name: 6-(2-allyloxyphenyl)-3-methylsulfanyl-5H-pyrimido[4,5-e][1,2,4]triazin-8-one CAS Name: 3-(methylthio)-6-(2-prop-2-enoxyphenyl)-5H-pyrimido[4,5-e][1,2,4]triazin-8-one IUPAC Name: 3-methylsulfanyl-6-(2-prop-2-enoxyphenyl)-5H-pyrimido[4,5-e][1,2,4]triazin-8-one Traditional Name: 6-(2-allyloxyphenyl)-3-(methylthio)-5H-pyrimido[4,5-e][1,2,4]triazin-8-one Formula: C15H13N5O2S MolecularWeight: 327.36102

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=O)N=C(N2)C3=CC=CC=C3OCC=C)N=N1

Isomeric SMILES

CSC1=NC2=C(C(=O)N=C(N2)C3=CC=CC=C3OCC=C)N=N1

InChI

InChI=1S/C15H13N5O2S/c1-3-8-22-10-7-5-4-6-9(10)12-16-13-11(14(21)17-12)19-20-15(18-13)23-2/h3-7H,1,8H2,2H3,(H,16,17,18,20,21)