ethyl 3,6-dimethyl-2-methylsulfanyl-4-(4-nitrophenyl)-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 3,6-dimethyl-2-methylsulfanyl-4-(4-nitrophenyl)-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 3,6-dimethyl-2-methylsulfanyl-4-(4-nitrophenyl)-4H-pyrimidine-5-carboxylate CAS Name: 3,6-dimethyl-2-(methylthio)-4-(4-nitrophenyl)-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3,6-dimethyl-2-methylsulfanyl-4-(4-nitrophenyl)-4H-pyrimidine-5-carboxylate Traditional Name: 3,6-dimethyl-2-(methylthio)-4-(4-nitrophenyl)-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N(C1C2=CC=C(C=C2)[N+](=O)[O-])C)SC)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N(C1C2=CC=C(C=C2)[N+](=O)[O-])C)SC)C

InChI

InChI=1S/C16H19N3O4S/c1-5-23-15(20)13-10(2)17-16(24-4)18(3)14(13)11-6-8-12(9-7-11)19(21)22/h6-9,14H,5H2,1-4H3