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

Systemtic Name: 6-methyl-2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-methyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-methyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 2-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]-6-methyl-pyrimidin-4-olate Formula: C13H10N5O2S- MolecularWeight: 300.3158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCN2C(=O)C3=CC=CC=C3N=N2)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCN2C(=O)C3=CC=CC=C3N=N2)[O-]

InChI

InChI=1S/C13H11N5O2S/c1-8-6-11(19)15-13(14-8)21-7-18-12(20)9-4-2-3-5-10(9)16-17-18/h2-6H,7H2,1H3,(H,14,15,19)/p-1