methyl 2-[methyl-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)amino]benzoate

Systemtic Name: methyl 2-[methyl-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 2-[methyl-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)amino]benzoate CAS Name: 2-[methyl-[5-nitro-6-(phenylthio)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)amino]benzoate Traditional Name: 2-[methyl-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O4S/c1-22(15-11-7-6-10-14(15)19(24)27-2)17-16(23(25)26)18(21-12-20-17)28-13-8-4-3-5-9-13/h3-12H,1-2H3