ethyl 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-1-phenyl-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-1-phenyl-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-1-phenyl-4H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-(methylthio)-4-(3-nitrophenyl)-1-phenyl-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-1-phenyl-4H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-(methylthio)-4-(3-nitrophenyl)-1-phenyl-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=NC1C2=CC(=CC=C2)[N+](=O)[O-])SC)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=NC1C2=CC(=CC=C2)[N+](=O)[O-])SC)C3=CC=CC=C3)C

InChI

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