methyl 6-diethoxyphosphoryl-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 6-diethoxyphosphoryl-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 6-diethoxyphosphoryl-4-oxo-3-phenyl-2-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 6-diethoxyphosphoryl-4-oxo-3-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-diethoxyphosphoryl-4-oxo-3-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 6-diethoxyphosphoryl-4-keto-3-phenyl-2-thioxo-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C16H19N2O6PS MolecularWeight: 398.370621

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(C(=O)N(C(=S)N1)C2=CC=CC=C2)C(=O)OC)OCC

Isomeric SMILES

CCOP(=O)(C1=C(C(=O)N(C(=S)N1)C2=CC=CC=C2)C(=O)OC)OCC

InChI

InChI=1S/C16H19N2O6PS/c1-4-23-25(21,24-5-2)13-12(15(20)22-3)14(19)18(16(26)17-13)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3,(H,17,26)