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

Systemtic Name: methyl 2-[methyl-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[methyl-[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[methyl-[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[methyl-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N(C)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N(C)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H18N4O4S/c1-13-8-10-14(11-9-13)29-19-17(24(26)27)18(21-12-22-19)23(2)16-7-5-4-6-15(16)20(25)28-3/h4-12H,1-3H3