2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]-6-propyl-pyrimidin-4-olate Formula: C15H14N5O2S- MolecularWeight: 328.36896

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCN2C(=O)C3=CC=CC=C3N=N2)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCN2C(=O)C3=CC=CC=C3N=N2)[O-]

InChI

InChI=1S/C15H15N5O2S/c1-2-5-10-8-13(21)17-15(16-10)23-9-20-14(22)11-6-3-4-7-12(11)18-19-20/h3-4,6-8H,2,5,9H2,1H3,(H,16,17,21)/p-1