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

Systemtic Name: O1-ethyl O2-[3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] ethanedioate Openeye Name: O1-ethyl O2-[3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] oxalate CAS Name: oxalic acid O1-ethyl ester O2-[3-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: 1-O-ethyl 2-O-[3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] oxalate Traditional Name: oxalic acid O1-ethyl ester O2-[3-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4S/c1-4-22-14(20)15(21)23-12-7-5-6-11(9-12)18-13-8-10(2)17-16(19-13)24-3/h5-9H,4H2,1-3H3,(H,17,18,19)