O1-ethyl O2-[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ethanedioate

Systemtic Name: O1-ethyl O2-[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ethanedioate Openeye Name: O1-ethyl O2-[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] oxalate CAS Name: oxalic acid O1-ethyl ester O2-[3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: 1-O-ethyl 2-O-[3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] oxalate Traditional Name: oxalic acid O1-ethyl ester O2-[3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)OC1=CC=CC(=C1)NC2=NC(=NC(=C2)C3=CC=CC=C3)SC

Isomeric SMILES

CCOC(=O)C(=O)OC1=CC=CC(=C1)NC2=NC(=NC(=C2)C3=CC=CC=C3)SC

InChI

InChI=1S/C21H19N3O4S/c1-3-27-19(25)20(26)28-16-11-7-10-15(12-16)22-18-13-17(23-21(24-18)29-2)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3,(H,22,23,24)