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

Systemtic Name: ethyl 4-methyl-6-(3-nitrophenyl)-2-pentylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-6-(3-nitrophenyl)-2-pentylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-(3-nitrophenyl)-2-(pentylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-6-(3-nitrophenyl)-2-pentylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(amylthio)-4-methyl-6-(3-nitrophenyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=C(C(=N1)C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCSC1=NC(=C(C(=N1)C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O4S/c1-4-6-7-11-27-19-20-13(3)16(18(23)26-5-2)17(21-19)14-9-8-10-15(12-14)22(24)25/h8-10,12H,4-7,11H2,1-3H3