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

Systemtic Name: ethyl 6-methyl-3-(4-methylphenyl)sulfonyl-4-(3-nitrophenyl)-2-oxidanylidene-1-phenyl-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1-phenyl-3-(p-tolylsulfonyl)-4H-pyrimidine-5-carboxylate CAS Name: 6-methyl-3-(4-methylphenyl)sulfonyl-4-(3-nitrophenyl)-2-oxo-1-phenyl-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-3-(4-methylphenyl)sulfonyl-4-(3-nitrophenyl)-2-oxo-1-phenyl-4H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-methyl-4-(3-nitrophenyl)-1-phenyl-3-tosyl-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H25N3O7S MolecularWeight: 535.5683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4)C

InChI

InChI=1S/C27H25N3O7S/c1-4-37-26(31)24-19(3)28(21-10-6-5-7-11-21)27(32)29(38(35,36)23-15-13-18(2)14-16-23)25(24)20-9-8-12-22(17-20)30(33)34/h5-17,25H,4H2,1-3H3