[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: (1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl 2-(4-nitrophenyl)sulfanylpropanoate CAS Name: 2-[(4-nitrophenyl)thio]propanoic acid (1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methyl ester IUPAC Name: (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: 2-[(4-nitrophenyl)thio]propionic acid (2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methyl ester Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC(=O)N(C(=O)N1C)C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OCC1=CC(=O)N(C(=O)N1C)C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O6S/c1-10(26-13-6-4-11(5-7-13)19(23)24)15(21)25-9-12-8-14(20)18(3)16(22)17(12)2/h4-8,10H,9H2,1-3H3