O5-methyl O3-(4-nitrophenyl) 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(4-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylate

Systemtic Name: O5-methyl O3-(4-nitrophenyl) 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(4-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylate Openeye Name: O5-methyl O3-(4-nitrophenyl) 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(4-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylate CAS Name: 2-[(4-methoxyphenyl)methylthio]-6-methyl-4-(4-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid O5-methyl ester O3-(4-nitrophenyl) ester IUPAC Name: 5-O-methyl 3-O-(4-nitrophenyl) 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(4-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylate Traditional Name: 6-methyl-4-(4-nitrophenyl)-2-(p-anisylthio)-4H-pyrimidine-3,5-dicarboxylic acid O5-methyl ester O3-(4-nitrophenyl) ester Formula: C28H24N4O9S MolecularWeight: 592.57656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=N1)SCC2=CC=C(C=C2)OC)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(N(C(=N1)SCC2=CC=C(C=C2)OC)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C28H24N4O9S/c1-17-24(26(33)40-3)25(19-6-8-20(9-7-19)31(35)36)30(28(34)41-23-14-10-21(11-15-23)32(37)38)27(29-17)42-16-18-4-12-22(39-2)13-5-18/h4-15,25H,16H2,1-3H3