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

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-nitrophenyl)-3-propanoyl-4H-pyrimidine-5-carboxylic acid Openeye Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-nitrophenyl)-3-propanoyl-4H-pyrimidine-5-carboxylic acid CAS Name: 2-[(4-methoxyphenyl)methylthio]-6-methyl-4-(3-nitrophenyl)-3-(1-oxopropyl)-4H-pyrimidine-5-carboxylic acid IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-nitrophenyl)-3-propanoyl-4H-pyrimidine-5-carboxylic acid Traditional Name: 6-methyl-4-(3-nitrophenyl)-2-(p-anisylthio)-3-propionyl-4H-pyrimidine-5-carboxylic acid Formula: C23H23N3O6S MolecularWeight: 469.51022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(C(=C(N=C1SCC2=CC=C(C=C2)OC)C)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N1C(C(=C(N=C1SCC2=CC=C(C=C2)OC)C)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O6S/c1-4-19(27)25-21(16-6-5-7-17(12-16)26(30)31)20(22(28)29)14(2)24-23(25)33-13-15-8-10-18(32-3)11-9-15/h5-12,21H,4,13H2,1-3H3,(H,28,29)