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

Systemtic Name: 3-(4-methoxyphenyl)carbonyl-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid Openeye Name: 3-(4-methoxybenzoyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid CAS Name: 2-[(4-methoxyphenyl)methylthio]-3-[(4-methoxyphenyl)-oxomethyl]-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid IUPAC Name: 3-(4-methoxybenzoyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid Traditional Name: 6-methyl-4-(3-nitrophenyl)-3-p-anisoyl-2-(p-anisylthio)-4H-pyrimidine-5-carboxylic acid Formula: C28H25N3O7S MolecularWeight: 547.579

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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=C(C=C3)OC)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=C(C=C3)OC)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C28H25N3O7S/c1-17-24(27(33)34)25(20-5-4-6-21(15-20)31(35)36)30(26(32)19-9-13-23(38-3)14-10-19)28(29-17)39-16-18-7-11-22(37-2)12-8-18/h4-15,25H,16H2,1-3H3,(H,33,34)