ethyl 4-azanyl-2-[1-(3-nitrophenyl)ethylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[1-(3-nitrophenyl)ethylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[1-(3-nitrophenyl)ethylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[1-(3-nitrophenyl)ethylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[1-(3-nitrophenyl)ethylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[1-(3-nitrophenyl)ethylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C15H16N4O4S MolecularWeight: 348.37694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC(C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SC(C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O4S/c1-3-23-14(20)12-8-17-15(18-13(12)16)24-9(2)10-5-4-6-11(7-10)19(21)22/h4-9H,3H2,1-2H3,(H2,16,17,18)