3-propylsulfanyl-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione

Systemtic Name: 3-propylsulfanyl-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione Openeye Name: 3-propylsulfanyl-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione CAS Name: 3-(propylthio)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione IUPAC Name: 3-propylsulfanyl-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione Traditional Name: 3-(propylthio)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-quinone Formula: C8H9N5O2S MolecularWeight: 239.25436

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=O)NC(=O)N2)N=N1

Isomeric SMILES

CCCSC1=NC2=C(C(=O)NC(=O)N2)N=N1

InChI

InChI=1S/C8H9N5O2S/c1-2-3-16-8-10-5-4(12-13-8)6(14)11-7(15)9-5/h2-3H2,1H3,(H2,9,10,11,13,14,15)