ethyl 4-methyl-6-(3-nitrophenyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-6-(3-nitrophenyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-4-methyl-6-(3-nitrophenyl)pyrimidine-5-carboxylate CAS Name: 4-methyl-6-(3-nitrophenyl)-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-4-methyl-6-(3-nitrophenyl)pyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-4-methyl-6-(3-nitrophenyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)SCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)SCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4S/c1-3-28-20(25)18-14(2)22-21(29-13-15-8-5-4-6-9-15)23-19(18)16-10-7-11-17(12-16)24(26)27/h4-12H,3,13H2,1-2H3