ethyl 3-[(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)amino]benzoate

Systemtic Name: ethyl 3-[(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)amino]benzoate Openeye Name: ethyl 3-[(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)amino]benzoate CAS Name: 3-[[5-nitro-6-(phenylthio)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(5-nitro-6-phenylsulfanylpyrimidin-4-yl)amino]benzoate Traditional Name: 3-[[5-nitro-6-(phenylthio)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O4S/c1-2-27-19(24)13-7-6-8-14(11-13)22-17-16(23(25)26)18(21-12-20-17)28-15-9-4-3-5-10-15/h3-12H,2H2,1H3,(H,20,21,22)