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

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-nitrophenyl)-3-(2-phenylethanoyl)-4H-pyrimidine-5-carboxylic acid Openeye Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-nitrophenyl)-3-(2-phenylacetyl)-4H-pyrimidine-5-carboxylic acid CAS Name: 2-[(4-methoxyphenyl)methylthio]-6-methyl-4-(3-nitrophenyl)-3-(1-oxo-2-phenylethyl)-4H-pyrimidine-5-carboxylic acid IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-nitrophenyl)-3-(2-phenylacetyl)-4H-pyrimidine-5-carboxylic acid Traditional Name: 6-methyl-4-(3-nitrophenyl)-2-(p-anisylthio)-3-(2-phenylacetyl)-4H-pyrimidine-5-carboxylic acid Formula: C28H25N3O6S MolecularWeight: 531.5796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=N1)SCC2=CC=C(C=C2)OC)C(=O)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=N1)SCC2=CC=C(C=C2)OC)C(=O)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C28H25N3O6S/c1-18-25(27(33)34)26(21-9-6-10-22(16-21)31(35)36)30(24(32)15-19-7-4-3-5-8-19)28(29-18)38-17-20-11-13-23(37-2)14-12-20/h3-14,16,26H,15,17H2,1-2H3,(H,33,34)