4-(2-chloranyl-3-nitro-phenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4H-pyrimidine-3-carboxylic acid

Systemtic Name: 4-(2-chloranyl-3-nitro-phenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4H-pyrimidine-3-carboxylic acid Openeye Name: 4-(2-chloro-3-nitro-phenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4H-pyrimidine-3-carboxylic acid CAS Name: 4-(2-chloro-3-nitrophenyl)-2-[(4-methoxyphenyl)methylthio]-6-methyl-4H-pyrimidine-3-carboxylic acid IUPAC Name: 4-(2-chloro-3-nitrophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4H-pyrimidine-3-carboxylic acid Traditional Name: 4-(2-chloro-3-nitro-phenyl)-6-methyl-2-(p-anisylthio)-4H-pyrimidine-3-carboxylic acid Formula: C20H18ClN3O5S MolecularWeight: 447.89202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C(=N1)SCC2=CC=C(C=C2)OC)C(=O)O)C3=C(C(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(N(C(=N1)SCC2=CC=C(C=C2)OC)C(=O)O)C3=C(C(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H18ClN3O5S/c1-12-10-17(15-4-3-5-16(18(15)21)24(27)28)23(20(25)26)19(22-12)30-11-13-6-8-14(29-2)9-7-13/h3-10,17H,11H2,1-2H3,(H,25,26)