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

Systemtic Name: methyl 4-[[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC

InChI

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