2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-(3-nitrophenyl)pyrimidine-5-carboxylic acid

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-(3-nitrophenyl)pyrimidine-5-carboxylic acid Openeye Name: 2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-(3-nitrophenyl)pyrimidine-5-carboxylic acid CAS Name: 2-[(4-methoxyphenyl)methylthio]-4-methyl-6-(3-nitrophenyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-(3-nitrophenyl)pyrimidine-5-carboxylic acid Traditional Name: 4-methyl-6-(3-nitrophenyl)-2-(p-anisylthio)pyrimidine-5-carboxylic acid Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])SCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])SCC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H17N3O5S/c1-12-17(19(24)25)18(14-4-3-5-15(10-14)23(26)27)22-20(21-12)29-11-13-6-8-16(28-2)9-7-13/h3-10H,11H2,1-2H3,(H,24,25)