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

Systemtic Name: methyl 2-[4-oxidanylidene-2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C15H13N5O4S MolecularWeight: 359.35982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C15H13N5O4S/c1-24-13(22)7-9-6-12(21)17-15(16-9)25-8-20-14(23)10-4-2-3-5-11(10)18-19-20/h2-6H,7-8H2,1H3,(H,16,17,21)