(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H19N5O3S/c1-11-13(12(2)20-18(19-11)27-3)8-9-16(24)26-10-23-17(25)14-6-4-5-7-15(14)21-22-23/h4-7H,8-10H2,1-3H3