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

Systemtic Name: methyl 2-[[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-[(4-chlorophenyl)thio]-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C19H15ClN4O4S MolecularWeight: 430.8648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN4O4S/c1-23(15-6-4-3-5-14(15)19(25)28-2)17-16(24(26)27)18(22-11-21-17)29-13-9-7-12(20)8-10-13/h3-11H,1-2H3