diethylamino 2-(2,6-dimethoxypyrimidin-4-yl)sulfanyl-6-phenyl-benzoate

Systemtic Name: diethylamino 2-(2,6-dimethoxypyrimidin-4-yl)sulfanyl-6-phenyl-benzoate Openeye Name: diethylamino 2-(2,6-dimethoxypyrimidin-4-yl)sulfanyl-6-phenyl-benzoate CAS Name: 2-[(2,6-dimethoxy-4-pyrimidinyl)thio]-6-phenylbenzoic acid diethylamino ester IUPAC Name: diethylamino 2-(2,6-dimethoxypyrimidin-4-yl)sulfanyl-6-phenylbenzoate Traditional Name: 2-[(2,6-dimethoxypyrimidin-4-yl)thio]-6-phenyl-benzoic acid diethylamino ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)OC(=O)C1=C(C=CC=C1SC2=NC(=NC(=C2)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)OC(=O)C1=C(C=CC=C1SC2=NC(=NC(=C2)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O4S/c1-5-26(6-2)30-22(27)21-17(16-11-8-7-9-12-16)13-10-14-18(21)31-20-15-19(28-3)24-23(25-20)29-4/h7-15H,5-6H2,1-4H3