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

Systemtic Name: 3-butylsulfanyl-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione Openeye Name: 3-butylsulfanyl-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione CAS Name: 3-(butylthio)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione IUPAC Name: 3-butylsulfanyl-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione Traditional Name: 3-(butylthio)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-quinone Formula: C9H11N5O2S MolecularWeight: 253.28094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)NC(=O)N2)N=N1

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)NC(=O)N2)N=N1

InChI

InChI=1S/C9H11N5O2S/c1-2-3-4-17-9-11-6-5(13-14-9)7(15)12-8(16)10-6/h2-4H2,1H3,(H2,10,11,12,14,15,16)