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

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-nitrophenyl)-3-(phenylcarbonyl)-4H-pyrimidine-5-carboxylic acid Openeye Name: 3-benzoyl-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid CAS Name: 3-benzoyl-2-[(4-methoxyphenyl)methylthio]-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid IUPAC Name: 3-benzoyl-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid Traditional Name: 3-benzoyl-6-methyl-4-(3-nitrophenyl)-2-(p-anisylthio)-4H-pyrimidine-5-carboxylic acid Formula: C27H23N3O6S MolecularWeight: 517.55302

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H23N3O6S/c1-17-23(26(32)33)24(20-9-6-10-21(15-20)30(34)35)29(25(31)19-7-4-3-5-8-19)27(28-17)37-16-18-11-13-22(36-2)14-12-18/h3-15,24H,16H2,1-2H3,(H,32,33)