6-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-4-(3-nitrophenyl)-1-(phenylsulfonyl)-2H-pyrimidine-5-carboxylic acid

Systemtic Name: 6-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-4-(3-nitrophenyl)-1-(phenylsulfonyl)-2H-pyrimidine-5-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-6-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-4-(3-nitrophenyl)-2H-pyrimidine-5-carboxylic acid CAS Name: 1-(benzenesulfonyl)-6-[(4-methoxyphenyl)methylthio]-2-methyl-4-(3-nitrophenyl)-2H-pyrimidine-5-carboxylic acid IUPAC Name: 1-(benzenesulfonyl)-6-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-4-(3-nitrophenyl)-2H-pyrimidine-5-carboxylic acid Traditional Name: 1-besyl-2-methyl-4-(3-nitrophenyl)-6-(p-anisylthio)-2H-pyrimidine-5-carboxylic acid Formula: C26H23N3O7S2 MolecularWeight: 553.60672

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Descriptors Computed from Structure

Canonical SMILES:

CC1N=C(C(=C(N1S(=O)(=O)C2=CC=CC=C2)SCC3=CC=C(C=C3)OC)C(=O)O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1N=C(C(=C(N1S(=O)(=O)C2=CC=CC=C2)SCC3=CC=C(C=C3)OC)C(=O)O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H23N3O7S2/c1-17-27-24(19-7-6-8-20(15-19)29(32)33)23(26(30)31)25(37-16-18-11-13-21(36-2)14-12-18)28(17)38(34,35)22-9-4-3-5-10-22/h3-15,17H,16H2,1-2H3,(H,30,31)