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

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

Systemtic Name:methyl 2-[(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)amino]benzoate
Openeye Name:methyl 2-[(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)amino]benzoate
CAS Name:2-[[5-nitro-6-(phenylthio)-4-pyrimidinyl]amino]benzoic acid methyl ester
IUPAC Name:methyl 2-[(5-nitro-6-phenylsulfanylpyrimidin-4-yl)amino]benzoate
Traditional Name:2-[[5-nitro-6-(phenylthio)pyrimidin-4-yl]amino]benzoic acid methyl ester
Formula: C18H14N4O4S
MolecularWeight: 382.39316
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]


Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]


InChI

InChI=1S/C18H14N4O4S/c1-26-18(23)13-9-5-6-10-14(13)21-16-15(22(24)25)17(20-11-19-16)27-12-7-3-2-4-8-12/h2-11H,1H3,(H,19,20,21)


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