ethyl 6-methyl-4-(2-methylsulfanyl-5-nitro-phenyl)-2-phenyl-4H-pyrimidine-3-carboxylate

Systemtic Name: ethyl 6-methyl-4-(2-methylsulfanyl-5-nitro-phenyl)-2-phenyl-4H-pyrimidine-3-carboxylate Openeye Name: ethyl 6-methyl-4-(2-methylsulfanyl-5-nitro-phenyl)-2-phenyl-4H-pyrimidine-3-carboxylate CAS Name: 6-methyl-4-[2-(methylthio)-5-nitrophenyl]-2-phenyl-4H-pyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-(2-methylsulfanyl-5-nitrophenyl)-2-phenyl-4H-pyrimidine-3-carboxylate Traditional Name: 6-methyl-4-[2-(methylthio)-5-nitro-phenyl]-2-phenyl-4H-pyrimidine-3-carboxylic acid ethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(C=C(N=C1C2=CC=CC=C2)C)C3=C(C=CC(=C3)[N+](=O)[O-])SC

Isomeric SMILES

CCOC(=O)N1C(C=C(N=C1C2=CC=CC=C2)C)C3=C(C=CC(=C3)[N+](=O)[O-])SC

InChI

InChI=1S/C21H21N3O4S/c1-4-28-21(25)23-18(17-13-16(24(26)27)10-11-19(17)29-3)12-14(2)22-20(23)15-8-6-5-7-9-15/h5-13,18H,4H2,1-3H3